4-(3-chloro-2-pyridinyl)-N-(3-cyanophenyl)-2-fluorobenzamide

C19H11ClFN3O — CID 11484943

IUPAC4-(3-chloro-2-pyridinyl)-N-(3-cyanophenyl)-2-fluorobenzamide
SMILESN#Cc1cccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2F)c1
InChIInChI=1S/C19H11ClFN3O/c20-16-5-2-8-23-18(16)13-6-7-15(17(21)10-13)19(25)24-14-4-1-3-12(9-14)11-22/h1-10H,(H,24,25)
InChIKeyGKUPVFAAMBRTGG-UHFFFAOYSA-N
MW351.77 g/mol
LogP4.67
Rot. Bonds3

About 4-(3-chloro-2-pyridinyl)-N-(3-cyanophenyl)-2-fluorobenzamide

4-(3-chloro-2-pyridinyl)-N-(3-cyanophenyl)-2-fluorobenzamide (PubChem CID 11484943) has the molecular formula C19H11ClFN3O and a molecular weight of 351.77 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-N-(3-cyanophenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-N-(3-cyanophenyl)-2-fluorobenzamide
PubChem CID11484943
Molecular FormulaC19H11ClFN3O
Molecular Weight351.77 g/mol
Exact Mass351.06
IUPAC Name4-(3-chloro-2-pyridinyl)-N-(3-cyanophenyl)-2-fluorobenzamide
SMILESN#Cc1cccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2F)c1
InChIInChI=1S/C19H11ClFN3O/c20-16-5-2-8-23-18(16)13-6-7-15(17(21)10-13)19(25)24-14-4-1-3-12(9-14)11-22/h1-10H,(H,24,25)
InChIKeyGKUPVFAAMBRTGG-UHFFFAOYSA-N
XLogP4.67
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.77
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-2-pyridinyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 11407730
4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-nitrophenyl)benzamide
CID 59672710
4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-methoxyphenyl)benzamide
CID 11337240
N-tert-butyl-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide
CID 11381243
2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide
CID 79035948
2-amino-N-(4-chlorophenyl)-4-(3-chloro-2-pyridinyl)benzamide
CID 59673398
4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide
CID 11451124
N-(3-cyanophenyl)-2-methoxypyridine-3-carboxamide
CID 55023858
5-amino-2,3-dichloro-N-(3-cyanophenyl)benzamide
CID 107183181
3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057592
4-cyano-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 833847
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3-cyanophenyl)propanamide
CID 51319472

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-N-(3-cyanophenyl)-2-fluorobenzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-N-(3-cyanophenyl)-2-fluorobenzamide (CID 11484943) is 4-(3-chloro-2-pyridinyl)-N-(3-cyanophenyl)-2-fluorobenzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-N-(3-cyanophenyl)-2-fluorobenzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-N-(3-cyanophenyl)-2-fluorobenzamide is N#Cc1cccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2F)c1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-N-(3-cyanophenyl)-2-fluorobenzamide?
The InChIKey is GKUPVFAAMBRTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClFN3O/c20-16-5-2-8-23-18(16)13-6-7-15(17(21)10-13)19(25)24-14-4-1-3-12(9-14)11-22/h1-10H,(H,24,25).
What are the key properties of 4-(3-chloro-2-pyridinyl)-N-(3-cyanophenyl)-2-fluorobenzamide?
4-(3-chloro-2-pyridinyl)-N-(3-cyanophenyl)-2-fluorobenzamide has a molecular weight of 351.77 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-N-(3-cyanophenyl)-2-fluorobenzamide is sourced from PubChem (CID 11484943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).