2-chloro-4,5-difluoro-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide

C19H12ClF2N3O2 — CID 992680

IUPAC2-chloro-4,5-difluoro-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)Nc1ccccn1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C19H12ClF2N3O2/c20-13-10-15(22)14(21)9-12(13)19(27)24-16-6-2-1-5-11(16)18(26)25-17-7-3-4-8-23-17/h1-10H,(H,24,27)(H,23,25,26)
InChIKeyPREHQYPAZODNKO-UHFFFAOYSA-N
MW387.77 g/mol
LogP4.52
Rot. Bonds4

About 2-chloro-4,5-difluoro-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide

2-chloro-4,5-difluoro-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide (PubChem CID 992680) has the molecular formula C19H12ClF2N3O2 and a molecular weight of 387.77 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide
PubChem CID992680
Molecular FormulaC19H12ClF2N3O2
Molecular Weight387.77 g/mol
Exact Mass387.06
IUPAC Name2-chloro-4,5-difluoro-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)Nc1ccccn1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C19H12ClF2N3O2/c20-13-10-15(22)14(21)9-12(13)19(27)24-16-6-2-1-5-11(16)18(26)25-17-7-3-4-8-23-17/h1-10H,(H,24,27)(H,23,25,26)
InChIKeyPREHQYPAZODNKO-UHFFFAOYSA-N
XLogP4.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.77
LogP ≤ 54.52
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

N-(5-chloropyridin-2-yl)-5-methyl-2-[4-(N-methylethanimidamido)benzamido]benzamide
CID 53374963
Bisanilinopyrimidine, 6p
CID 70702144
Bisanilinopyrimidine, 9m
CID 70702160
2,6-Dichloro-N-{2-[(Cyclopropylcarbonyl)amino]pyridin-4-Yl}benzamide
CID 49839561
1,6-naphthyridin-2(1H)-one deriv. 7n
CID 5328713
Pyrido(2,3-d)pyrimidin-7(8H)-one, 6-(2,6-dichlorophenyl)-2-((4-fluorophenyl)amino)-8-methyl-
CID 5330524
2-{[2-(Phenylamino)pyrimidin-4-yl]amino}benzamide
CID 23647253
6-(4-chlorophenylamino)-N,N-diethylnicotinamide
CID 23725212
2,6-Dichloro-N-[2-({[(1r,2r)-2-Fluorocyclopropyl]carbonyl}amino)pyridin-4-Yl]benzamide
CID 59618368
4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-N-methylpyridine-3-carboxamide
CID 118473558
{4-[4-Chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-phenylcarbamoyl]-benzyl}-trimethyl-ammonium
CID 9959749
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-ethynylbenzamide
CID 10114497

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide (CID 992680) is 2-chloro-4,5-difluoro-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide is O=C(Nc1ccccc1C(=O)Nc1ccccn1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide?
The InChIKey is PREHQYPAZODNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF2N3O2/c20-13-10-15(22)14(21)9-12(13)19(27)24-16-6-2-1-5-11(16)18(26)25-17-7-3-4-8-23-17/h1-10H,(H,24,27)(H,23,25,26).
What are the key properties of 2-chloro-4,5-difluoro-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide?
2-chloro-4,5-difluoro-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide has a molecular weight of 387.77 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 992680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).