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

C21H18N2O2 — CID 40513318

IUPAC4-benzoyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1ccncc1
InChIInChI=1S/C21H18N2O2/c1-15(16-11-13-22-14-12-16)23-21(25)19-9-7-18(8-10-19)20(24)17-5-3-2-4-6-17/h2-15H,1H3,(H,23,25)/t15-/m1/s1
InChIKeyOKHKITLXCPNOCX-OAHLLOKOSA-N
MW330.39 g/mol
LogP3.80
Rot. Bonds5

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

4-benzoyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide (PubChem CID 40513318) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-benzoyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide.

Molecular Properties

Compound Name4-benzoyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide
PubChem CID40513318
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name4-benzoyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1ccncc1
InChIInChI=1S/C21H18N2O2/c1-15(16-11-13-22-14-12-16)23-21(25)19-9-7-18(8-10-19)20(24)17-5-3-2-4-6-17/h2-15H,1H3,(H,23,25)/t15-/m1/s1
InChIKeyOKHKITLXCPNOCX-OAHLLOKOSA-N
XLogP3.80
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide
CID 17330741
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
4-nitro-N-(1-pyridin-4-ylethyl)benzamide
CID 17330712
4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide
CID 17431646
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
CID 118604265
4-(2,5-dimethylpyrrol-1-yl)-N-(1-pyridin-4-ylethyl)benzamide
CID 24639260
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
3,5-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide
CID 103891609
N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 42563511
N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide
CID 43297585

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide?
The IUPAC name of 4-benzoyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide (CID 40513318) is 4-benzoyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide.
What is the SMILES notation for 4-benzoyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide?
The canonical SMILES for 4-benzoyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide is C[C@@H](NC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1ccncc1.
What is the InChIKey of 4-benzoyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide?
The InChIKey is OKHKITLXCPNOCX-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-15(16-11-13-22-14-12-16)23-21(25)19-9-7-18(8-10-19)20(24)17-5-3-2-4-6-17/h2-15H,1H3,(H,23,25)/t15-/m1/s1.
What are the key properties of 4-benzoyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide?
4-benzoyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide has a molecular weight of 330.39 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide is sourced from PubChem (CID 40513318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).