4-(3-chloro-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]benzamide

C20H16ClFN2O — CID 59672700

IUPAC4-(3-chloro-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(-c2ncccc2Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H16ClFN2O/c1-13(14-8-10-17(22)11-9-14)24-20(25)16-6-4-15(5-7-16)19-18(21)3-2-12-23-19/h2-13H,1H3,(H,24,25)
InChIKeyVFQBUTPZCYPKCF-UHFFFAOYSA-N
MW354.81 g/mol
LogP5.03
Rot. Bonds4

About 4-(3-chloro-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]benzamide

4-(3-chloro-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]benzamide (PubChem CID 59672700) has the molecular formula C20H16ClFN2O and a molecular weight of 354.81 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]benzamide
PubChem CID59672700
Molecular FormulaC20H16ClFN2O
Molecular Weight354.81 g/mol
Exact Mass354.09
IUPAC Name4-(3-chloro-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(-c2ncccc2Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H16ClFN2O/c1-13(14-8-10-17(22)11-9-14)24-20(25)16-6-4-15(5-7-16)19-18(21)3-2-12-23-19/h2-13H,1H3,(H,24,25)
InChIKeyVFQBUTPZCYPKCF-UHFFFAOYSA-N
XLogP5.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.81
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 94338730
4-(3-chloro-2-pyridinyl)-N-ethylbenzamide
CID 59673494
4-fluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 18162974
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
6-(4-fluorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 93070978
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 51321935
4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
CID 7944591
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
4-(3-chloro-2-pyridinyl)-N-[4-(3-fluorophenyl)phenyl]benzamide
CID 86100465
4-(3-chloro-2-pyridinyl)-N-cyclopropylbenzamide
CID 59673165

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]benzamide (CID 59672700) is 4-(3-chloro-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]benzamide is CC(NC(=O)c1ccc(-c2ncccc2Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is VFQBUTPZCYPKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O/c1-13(14-8-10-17(22)11-9-14)24-20(25)16-6-4-15(5-7-16)19-18(21)3-2-12-23-19/h2-13H,1H3,(H,24,25).
What are the key properties of 4-(3-chloro-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]benzamide?
4-(3-chloro-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 354.81 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 59672700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).