[2-carboxy-5-[4-[4-carboxy-2,3,6-trifluoro-5-(methylcarbamoyl)phenoxy]-2,3,5,6-tetrafluorophenoxy]-3,4,6-trifluorobenzoyl]-(3-chloro-2,4,6-trifluoro-5-methylphenyl)azanide

C30H9ClF13N2O8- — CID 163988478

IUPAC[2-carboxy-5-[4-[4-carboxy-2,3,6-trifluoro-5-(methylcarbamoyl)phenoxy]-2,3,5,6-tetrafluorophenoxy]-3,4,6-trifluorobenzoyl]-(3-chloro-2,4,6-trifluoro-5-methylphenyl)azanide
SMILESCNC(=O)c1c(F)c(Oc2c(F)c(F)c(Oc3c(F)c(F)c(C(=O)O)c(C(=O)[N-]c4c(F)c(C)c(F)c(Cl)c4F)c3F)c(F)c2F)c(F)c(F)c1C(=O)O
InChIInChI=1S/C30H10ClF13N2O8/c1-3-9(32)8(31)15(38)22(10(3)33)46-28(48)5-7(30(51)52)12(35)17(40)24(14(5)37)54-26-20(43)18(41)25(19(42)21(26)44)53-23-13(36)4(27(47)45-2)6(29(49)50)11(34)16(23)39/h1-2H3,(H4,45,46,47,48,49,50,51,52)/p-1
InChIKeyTYLZANULZBOOEB-UHFFFAOYSA-M
MW807.83 g/mol
LogP8.64
Rot. Bonds9

About [2-carboxy-5-[4-[4-carboxy-2,3,6-trifluoro-5-(methylcarbamoyl)phenoxy]-2,3,5,6-tetrafluorophenoxy]-3,4,6-trifluorobenzoyl]-(3-chloro-2,4,6-trifluoro-5-methylphenyl)azanide

[2-carboxy-5-[4-[4-carboxy-2,3,6-trifluoro-5-(methylcarbamoyl)phenoxy]-2,3,5,6-tetrafluorophenoxy]-3,4,6-trifluorobenzoyl]-(3-chloro-2,4,6-trifluoro-5-methylphenyl)azanide (PubChem CID 163988478) has the molecular formula C30H9ClF13N2O8- and a molecular weight of 807.83 g/mol. Its IUPAC name is [2-carboxy-5-[4-[4-carboxy-2,3,6-trifluoro-5-(methylcarbamoyl)phenoxy]-2,3,5,6-tetrafluorophenoxy]-3,4,6-trifluorobenzoyl]-(3-chloro-2,4,6-trifluoro-5-methylphenyl)azanide.

Molecular Properties

Compound Name[2-carboxy-5-[4-[4-carboxy-2,3,6-trifluoro-5-(methylcarbamoyl)phenoxy]-2,3,5,6-tetrafluorophenoxy]-3,4,6-trifluorobenzoyl]-(3-chloro-2,4,6-trifluoro-5-methylphenyl)azanide
PubChem CID163988478
Molecular FormulaC30H9ClF13N2O8-
Molecular Weight807.83 g/mol
Exact Mass806.98
IUPAC Name[2-carboxy-5-[4-[4-carboxy-2,3,6-trifluoro-5-(methylcarbamoyl)phenoxy]-2,3,5,6-tetrafluorophenoxy]-3,4,6-trifluorobenzoyl]-(3-chloro-2,4,6-trifluoro-5-methylphenyl)azanide
SMILESCNC(=O)c1c(F)c(Oc2c(F)c(F)c(Oc3c(F)c(F)c(C(=O)O)c(C(=O)[N-]c4c(F)c(C)c(F)c(Cl)c4F)c3F)c(F)c2F)c(F)c(F)c1C(=O)O
InChIInChI=1S/C30H10ClF13N2O8/c1-3-9(32)8(31)15(38)22(10(3)33)46-28(48)5-7(30(51)52)12(35)17(40)24(14(5)37)54-26-20(43)18(41)25(19(42)21(26)44)53-23-13(36)4(27(47)45-2)6(29(49)50)11(34)16(23)39/h1-2H3,(H4,45,46,47,48,49,50,51,52)/p-1
InChIKeyTYLZANULZBOOEB-UHFFFAOYSA-M
XLogP8.64
TPSA153.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.83
LogP ≤ 58.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze [2-carboxy-5-[4-[4-carboxy-2,3,6-trifluoro-5-(methylcarbamoyl)phenoxy]-2,3,5,6-tetrafluorophenoxy]-3,4,6-trifluorobenzoyl]-(3-chloro-2,4,6-trifluoro-5-methylphenyl)azanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[4-[4-Carboxy-2,3,6-trichloro-5-[(3-chloro-2,4,6-trifluoro-5-methylphenyl)carbamoyl]phenoxy]-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenoxy]-2,3,5-trichloro-6-(methylcarbamoyl)benzoic acid
CID 20820461
4-[4-[4-[4-Carboxy-2,3,6-trichloro-5-[(3-chloro-2,4,6-trifluoro-5-methylphenyl)carbamoyl]phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]-2,3,5-trichloro-6-(methylcarbamoyl)benzoic acid
CID 20820462
4-[4-[4-[4-Carboxy-3-[(3-chloro-2,4,6-trifluoro-5-methylphenyl)carbamoyl]-2,5,6-trifluorophenoxy]-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenoxy]-2,3,5-trifluoro-6-(methylcarbamoyl)benzoic acid
CID 20820463
4-[4-[4-[4-Carboxy-3-[(3-chloro-2,4,6-trifluoro-5-methylphenyl)carbamoyl]-2,5,6-trifluorophenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]-2,3,5-trifluoro-6-(methylcarbamoyl)benzoic acid
CID 20820464
4-[4-[4-Carboxy-2,3,6-trichloro-5-[(2,3,4,6-tetrafluoro-5-methylphenyl)carbamoyl]phenoxy]-2,3,5,6-tetrachlorophenoxy]-2,3,5-trichloro-6-(methylcarbamoyl)benzoic acid
CID 20820466
4-[4-[4-Carboxy-2,3,6-trichloro-5-[(3-chloro-2,4,6-trifluoro-5-methylphenyl)carbamoyl]phenoxy]-2,3,5,6-tetrachlorophenoxy]-2,3,5-trichloro-6-(methylcarbamoyl)benzoic acid
CID 20820467
4-[4-[4-Carboxy-2,3,6-trifluoro-5-[(2,3,4,6-tetrachloro-5-methylphenyl)carbamoyl]phenoxy]-2,3,5,6-tetrachlorophenoxy]-2,3,5-trifluoro-6-(methylcarbamoyl)benzoic acid
CID 20820468
4-[4-[4-Carboxy-2,3,6-trifluoro-5-[(2,3,4,6-tetrafluoro-5-methylphenyl)carbamoyl]phenoxy]-2,3,5,6-tetrachlorophenoxy]-2,3,5-trifluoro-6-(methylcarbamoyl)benzoic acid
CID 20820469
4-[4-[4-Carboxy-3-[(3-chloro-2,4,6-trifluoro-5-methylphenyl)carbamoyl]-2,5,6-trifluorophenoxy]-2,3,5,6-tetrachlorophenoxy]-2,3,5-trifluoro-6-(methylcarbamoyl)benzoic acid
CID 20820470
4-[4-[4-Carboxy-3-[(3-chloro-2,4,6-trifluoro-5-methylphenyl)carbamoyl]-2,5,6-trifluorophenoxy]-2,3,5,6-tetrafluorophenoxy]-2,3,5-trifluoro-6-(methylcarbamoyl)benzoic acid
CID 20820471
4-[4-Carboxy-2,3,6-trichloro-5-[(3-chloro-2,4,6-trifluoro-5-methylphenyl)carbamoyl]phenoxy]-2,3,5-trichloro-6-(methylcarbamoyl)benzoic acid
CID 20820472
4-[4-Carboxy-3-[(3-chloro-2,4,6-trifluoro-5-methylphenyl)carbamoyl]-2,5,6-trifluorophenoxy]-2,3,5-trifluoro-6-(methylcarbamoyl)benzoic acid
CID 20820475

Frequently Asked Questions

What is the IUPAC name of [2-carboxy-5-[4-[4-carboxy-2,3,6-trifluoro-5-(methylcarbamoyl)phenoxy]-2,3,5,6-tetrafluorophenoxy]-3,4,6-trifluorobenzoyl]-(3-chloro-2,4,6-trifluoro-5-methylphenyl)azanide?
The IUPAC name of [2-carboxy-5-[4-[4-carboxy-2,3,6-trifluoro-5-(methylcarbamoyl)phenoxy]-2,3,5,6-tetrafluorophenoxy]-3,4,6-trifluorobenzoyl]-(3-chloro-2,4,6-trifluoro-5-methylphenyl)azanide (CID 163988478) is [2-carboxy-5-[4-[4-carboxy-2,3,6-trifluoro-5-(methylcarbamoyl)phenoxy]-2,3,5,6-tetrafluorophenoxy]-3,4,6-trifluorobenzoyl]-(3-chloro-2,4,6-trifluoro-5-methylphenyl)azanide.
What is the SMILES notation for [2-carboxy-5-[4-[4-carboxy-2,3,6-trifluoro-5-(methylcarbamoyl)phenoxy]-2,3,5,6-tetrafluorophenoxy]-3,4,6-trifluorobenzoyl]-(3-chloro-2,4,6-trifluoro-5-methylphenyl)azanide?
The canonical SMILES for [2-carboxy-5-[4-[4-carboxy-2,3,6-trifluoro-5-(methylcarbamoyl)phenoxy]-2,3,5,6-tetrafluorophenoxy]-3,4,6-trifluorobenzoyl]-(3-chloro-2,4,6-trifluoro-5-methylphenyl)azanide is CNC(=O)c1c(F)c(Oc2c(F)c(F)c(Oc3c(F)c(F)c(C(=O)O)c(C(=O)[N-]c4c(F)c(C)c(F)c(Cl)c4F)c3F)c(F)c2F)c(F)c(F)c1C(=O)O.
What is the InChIKey of [2-carboxy-5-[4-[4-carboxy-2,3,6-trifluoro-5-(methylcarbamoyl)phenoxy]-2,3,5,6-tetrafluorophenoxy]-3,4,6-trifluorobenzoyl]-(3-chloro-2,4,6-trifluoro-5-methylphenyl)azanide?
The InChIKey is TYLZANULZBOOEB-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H10ClF13N2O8/c1-3-9(32)8(31)15(38)22(10(3)33)46-28(48)5-7(30(51)52)12(35)17(40)24(14(5)37)54-26-20(43)18(41)25(19(42)21(26)44)53-23-13(36)4(27(47)45-2)6(29(49)50)11(34)16(23)39/h1-2H3,(H4,45,46,47,48,49,50,51,52)/p-1.
What are the key properties of [2-carboxy-5-[4-[4-carboxy-2,3,6-trifluoro-5-(methylcarbamoyl)phenoxy]-2,3,5,6-tetrafluorophenoxy]-3,4,6-trifluorobenzoyl]-(3-chloro-2,4,6-trifluoro-5-methylphenyl)azanide?
[2-carboxy-5-[4-[4-carboxy-2,3,6-trifluoro-5-(methylcarbamoyl)phenoxy]-2,3,5,6-tetrafluorophenoxy]-3,4,6-trifluorobenzoyl]-(3-chloro-2,4,6-trifluoro-5-methylphenyl)azanide has a molecular weight of 807.83 g/mol, XLogP of 8.64, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-carboxy-5-[4-[4-carboxy-2,3,6-trifluoro-5-(methylcarbamoyl)phenoxy]-2,3,5,6-tetrafluorophenoxy]-3,4,6-trifluorobenzoyl]-(3-chloro-2,4,6-trifluoro-5-methylphenyl)azanide is sourced from PubChem (CID 163988478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).