N-[[3,5-dichloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]-2-fluorobenzamide

C19H10Cl4FN3O3 — CID 19072887

IUPACN-[[3,5-dichloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]-2-fluorobenzamide
SMILESO=C(NC(=O)c1ccccc1F)Nc1cc(Cl)c(Oc2ncc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C19H10Cl4FN3O3/c20-9-5-14(23)18(25-8-9)30-16-12(21)6-10(7-13(16)22)26-19(29)27-17(28)11-3-1-2-4-15(11)24/h1-8H,(H2,26,27,28,29)
InChIKeyISWRCVNSPODOBW-UHFFFAOYSA-N
MW489.12 g/mol
LogP6.59
Rot. Bonds4

About N-[[3,5-dichloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]-2-fluorobenzamide

N-[[3,5-dichloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]-2-fluorobenzamide (PubChem CID 19072887) has the molecular formula C19H10Cl4FN3O3 and a molecular weight of 489.12 g/mol. Its IUPAC name is N-[[3,5-dichloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[3,5-dichloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]-2-fluorobenzamide
PubChem CID19072887
Molecular FormulaC19H10Cl4FN3O3
Molecular Weight489.12 g/mol
Exact Mass486.95
IUPAC NameN-[[3,5-dichloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]-2-fluorobenzamide
SMILESO=C(NC(=O)c1ccccc1F)Nc1cc(Cl)c(Oc2ncc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C19H10Cl4FN3O3/c20-9-5-14(23)18(25-8-9)30-16-12(21)6-10(7-13(16)22)26-19(29)27-17(28)11-3-1-2-4-15(11)24/h1-8H,(H2,26,27,28,29)
InChIKeyISWRCVNSPODOBW-UHFFFAOYSA-N
XLogP6.59
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.12
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 70629375
2-chloro-N-[[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 13254511
2,6-dichloro-N-[[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide
CID 141292043
N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]-2,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 19072643
N-[(3,5-dichloro-4-methoxyphenyl)carbamoyl]-2,6-difluorobenzamide
CID 54288472
2-fluoro-N-[[2,3,6-trichloro-4-(2,4-dichlorophenoxy)phenyl]carbamoyl]benzamide
CID 19934972
2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide
CID 19073039
2-chloro-N-[[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-3-methylphenyl]carbamoyl]benzamide
CID 19072978
N-[[3,5-dichloro-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 70402586
5-chloro-2-(2,6-difluorophenoxy)pyridine-3-carboxamide
CID 141125071
N-[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-fluoro-5-nitrobenzamide
CID 58737126
2,5-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide
CID 2800108

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]-2-fluorobenzamide?
The IUPAC name of N-[[3,5-dichloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]-2-fluorobenzamide (CID 19072887) is N-[[3,5-dichloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]-2-fluorobenzamide.
What is the SMILES notation for N-[[3,5-dichloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]-2-fluorobenzamide?
The canonical SMILES for N-[[3,5-dichloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]-2-fluorobenzamide is O=C(NC(=O)c1ccccc1F)Nc1cc(Cl)c(Oc2ncc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of N-[[3,5-dichloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]-2-fluorobenzamide?
The InChIKey is ISWRCVNSPODOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl4FN3O3/c20-9-5-14(23)18(25-8-9)30-16-12(21)6-10(7-13(16)22)26-19(29)27-17(28)11-3-1-2-4-15(11)24/h1-8H,(H2,26,27,28,29).
What are the key properties of N-[[3,5-dichloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]-2-fluorobenzamide?
N-[[3,5-dichloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]-2-fluorobenzamide has a molecular weight of 489.12 g/mol, XLogP of 6.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dichloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]-2-fluorobenzamide is sourced from PubChem (CID 19072887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).