2-fluoro-N-[[2,3,6-trichloro-4-(2,4-dichlorophenoxy)phenyl]carbamoyl]benzamide

C20H10Cl5FN2O3 — CID 19934972

IUPAC2-fluoro-N-[[2,3,6-trichloro-4-(2,4-dichlorophenoxy)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1F)Nc1c(Cl)cc(Oc2ccc(Cl)cc2Cl)c(Cl)c1Cl
InChIInChI=1S/C20H10Cl5FN2O3/c21-9-5-6-14(11(22)7-9)31-15-8-12(23)18(17(25)16(15)24)27-20(30)28-19(29)10-3-1-2-4-13(10)26/h1-8H,(H2,27,28,29,30)
InChIKeyXUBDJSNSDQQZDH-UHFFFAOYSA-N
MW522.57 g/mol
LogP7.85
Rot. Bonds4

About 2-fluoro-N-[[2,3,6-trichloro-4-(2,4-dichlorophenoxy)phenyl]carbamoyl]benzamide

2-fluoro-N-[[2,3,6-trichloro-4-(2,4-dichlorophenoxy)phenyl]carbamoyl]benzamide (PubChem CID 19934972) has the molecular formula C20H10Cl5FN2O3 and a molecular weight of 522.57 g/mol. Its IUPAC name is 2-fluoro-N-[[2,3,6-trichloro-4-(2,4-dichlorophenoxy)phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[2,3,6-trichloro-4-(2,4-dichlorophenoxy)phenyl]carbamoyl]benzamide
PubChem CID19934972
Molecular FormulaC20H10Cl5FN2O3
Molecular Weight522.57 g/mol
Exact Mass519.91
IUPAC Name2-fluoro-N-[[2,3,6-trichloro-4-(2,4-dichlorophenoxy)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1F)Nc1c(Cl)cc(Oc2ccc(Cl)cc2Cl)c(Cl)c1Cl
InChIInChI=1S/C20H10Cl5FN2O3/c21-9-5-6-14(11(22)7-9)31-15-8-12(23)18(17(25)16(15)24)27-20(30)28-19(29)10-3-1-2-4-13(10)26/h1-8H,(H2,27,28,29,30)
InChIKeyXUBDJSNSDQQZDH-UHFFFAOYSA-N
XLogP7.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.57
LogP ≤ 57.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[[2,3,6-trichloro-4-(2,4,5-trichlorophenoxy)phenyl]carbamoyl]benzamide
CID 19072795
N-[[3-chloro-4-(2,5-dichlorophenoxy)-2,6-dimethylphenyl]carbamoyl]-2-fluorobenzamide
CID 19072870
2-(2,4-dichlorophenoxy)-N-[(3,5-dichlorophenyl)carbamoyl]benzamide
CID 2805241
2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide
CID 44561285
N-[[3,5-dichloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]-2-fluorobenzamide
CID 19072887
2-chloro-N-[(2,5-dichloro-3-fluorophenyl)carbamoyl]benzamide
CID 86041132
2-chloro-N-[(3-chloro-4-phenoxyphenyl)carbamoyl]benzamide
CID 13186092
N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzamide
CID 60651805
2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 70629375
N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-2-fluorobenzamide
CID 60551379
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935
2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide
CID 19073039

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[2,3,6-trichloro-4-(2,4-dichlorophenoxy)phenyl]carbamoyl]benzamide?
The IUPAC name of 2-fluoro-N-[[2,3,6-trichloro-4-(2,4-dichlorophenoxy)phenyl]carbamoyl]benzamide (CID 19934972) is 2-fluoro-N-[[2,3,6-trichloro-4-(2,4-dichlorophenoxy)phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[[2,3,6-trichloro-4-(2,4-dichlorophenoxy)phenyl]carbamoyl]benzamide?
The canonical SMILES for 2-fluoro-N-[[2,3,6-trichloro-4-(2,4-dichlorophenoxy)phenyl]carbamoyl]benzamide is O=C(NC(=O)c1ccccc1F)Nc1c(Cl)cc(Oc2ccc(Cl)cc2Cl)c(Cl)c1Cl.
What is the InChIKey of 2-fluoro-N-[[2,3,6-trichloro-4-(2,4-dichlorophenoxy)phenyl]carbamoyl]benzamide?
The InChIKey is XUBDJSNSDQQZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Cl5FN2O3/c21-9-5-6-14(11(22)7-9)31-15-8-12(23)18(17(25)16(15)24)27-20(30)28-19(29)10-3-1-2-4-13(10)26/h1-8H,(H2,27,28,29,30).
What are the key properties of 2-fluoro-N-[[2,3,6-trichloro-4-(2,4-dichlorophenoxy)phenyl]carbamoyl]benzamide?
2-fluoro-N-[[2,3,6-trichloro-4-(2,4-dichlorophenoxy)phenyl]carbamoyl]benzamide has a molecular weight of 522.57 g/mol, XLogP of 7.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[2,3,6-trichloro-4-(2,4-dichlorophenoxy)phenyl]carbamoyl]benzamide is sourced from PubChem (CID 19934972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).