4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide

C14H13ClN2O — CID 40585280

IUPAC4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccncc1
InChIInChI=1S/C14H13ClN2O/c1-10(11-6-8-16-9-7-11)17-14(18)12-2-4-13(15)5-3-12/h2-10H,1H3,(H,17,18)/t10-/m1/s1
InChIKeyZAGJDCRKYLOVET-SNVBAGLBSA-N
MW260.72 g/mol
LogP3.23
Rot. Bonds3

About 4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide

4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide (PubChem CID 40585280) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
PubChem CID40585280
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccncc1
InChIInChI=1S/C14H13ClN2O/c1-10(11-6-8-16-9-7-11)17-14(18)12-2-4-13(15)5-3-12/h2-10H,1H3,(H,17,18)/t10-/m1/s1
InChIKeyZAGJDCRKYLOVET-SNVBAGLBSA-N
XLogP3.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide
CID 17330741
4-benzoyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40513318
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
4-nitro-N-(1-pyridin-4-ylethyl)benzamide
CID 17330712
4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 43874065
2-chloro-4,5-difluoro-N-(1-pyridin-4-ylethyl)benzamide
CID 2970246
4-(2,5-dimethylpyrrol-1-yl)-N-(1-pyridin-4-ylethyl)benzamide
CID 24639260
N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide
CID 43297585
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
3,5-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide
CID 103891609

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide?
The IUPAC name of 4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide (CID 40585280) is 4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide is C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccncc1.
What is the InChIKey of 4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide?
The InChIKey is ZAGJDCRKYLOVET-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-10(11-6-8-16-9-7-11)17-14(18)12-2-4-13(15)5-3-12/h2-10H,1H3,(H,17,18)/t10-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide?
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide has a molecular weight of 260.72 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide is sourced from PubChem (CID 40585280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).