2-chloro-4-fluoro-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide

C20H15ClFN3O2 — CID 55783783

IUPAC2-chloro-4-fluoro-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESO=C(NCc1ccccn1)c1cccc(NC(=O)c2ccc(F)cc2Cl)c1
InChIInChI=1S/C20H15ClFN3O2/c21-18-11-14(22)7-8-17(18)20(27)25-15-6-3-4-13(10-15)19(26)24-12-16-5-1-2-9-23-16/h1-11H,12H2,(H,24,26)(H,25,27)
InChIKeyWWSACYJJLPKOGT-UHFFFAOYSA-N
MW383.81 g/mol
LogP4.06
Rot. Bonds5

About 2-chloro-4-fluoro-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide

2-chloro-4-fluoro-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide (PubChem CID 55783783) has the molecular formula C20H15ClFN3O2 and a molecular weight of 383.81 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
PubChem CID55783783
Molecular FormulaC20H15ClFN3O2
Molecular Weight383.81 g/mol
Exact Mass383.08
IUPAC Name2-chloro-4-fluoro-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESO=C(NCc1ccccn1)c1cccc(NC(=O)c2ccc(F)cc2Cl)c1
InChIInChI=1S/C20H15ClFN3O2/c21-18-11-14(22)7-8-17(18)20(27)25-15-6-3-4-13(10-15)19(26)24-12-16-5-1-2-9-23-16/h1-11H,12H2,(H,24,26)(H,25,27)
InChIKeyWWSACYJJLPKOGT-UHFFFAOYSA-N
XLogP4.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorobenzoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 60555105
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
2-chloro-4-[(3-cyanobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide
CID 87001678
1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054659
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17297031
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
2,5-dimethoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55783848
2,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 9414595
3-[[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 98827364
3-[(2-fluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 71913514
5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]thiophene-2-carboxamide
CID 55851405
N-(3-bromophenyl)-2-chloro-4-fluorobenzamide
CID 24699810

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide (CID 55783783) is 2-chloro-4-fluoro-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide is O=C(NCc1ccccn1)c1cccc(NC(=O)c2ccc(F)cc2Cl)c1.
What is the InChIKey of 2-chloro-4-fluoro-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide?
The InChIKey is WWSACYJJLPKOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O2/c21-18-11-14(22)7-8-17(18)20(27)25-15-6-3-4-13(10-15)19(26)24-12-16-5-1-2-9-23-16/h1-11H,12H2,(H,24,26)(H,25,27).
What are the key properties of 2-chloro-4-fluoro-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide?
2-chloro-4-fluoro-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide has a molecular weight of 383.81 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 55783783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).