4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide

C17H18ClNO — CID 841144

IUPAC4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc(C)cc1
InChIInChI=1S/C17H18ClNO/c1-3-16(13-6-4-12(2)5-7-13)19-17(20)14-8-10-15(18)11-9-14/h4-11,16H,3H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyYNQYDAAHMZPLSY-MRXNPFEDSA-N
MW287.79 g/mol
LogP4.53
Rot. Bonds4

About 4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide

4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide (PubChem CID 841144) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
PubChem CID841144
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc(C)cc1
InChIInChI=1S/C17H18ClNO/c1-3-16(13-6-4-12(2)5-7-13)19-17(20)14-8-10-15(18)11-9-14/h4-11,16H,3H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyYNQYDAAHMZPLSY-MRXNPFEDSA-N
XLogP4.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]propanoate
CID 7310731
4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide
CID 99994348
methyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]benzoate
CID 9297354
N-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245
4-(dimethylamino)-N-[1-(4-methylphenyl)propyl]benzamide
CID 24543534
4-(methoxymethyl)-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 8624127
N-[1-(4-methylphenyl)propyl]-4-sulfamoylbenzamide
CID 24636412
N-[(1R)-1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 52522157
1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 841933
2,4,5-trimethyl-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 100710053
N-[1-(4-chlorophenyl)propyl]-4-(3-hydroxyoxetan-3-yl)benzamide
CID 166266588
N-[(1S)-1-(4-chlorophenyl)propyl]furan-3-carboxamide
CID 41490385

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide?
The IUPAC name of 4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide (CID 841144) is 4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide is CC[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc(C)cc1.
What is the InChIKey of 4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide?
The InChIKey is YNQYDAAHMZPLSY-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-3-16(13-6-4-12(2)5-7-13)19-17(20)14-8-10-15(18)11-9-14/h4-11,16H,3H2,1-2H3,(H,19,20)/t16-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide?
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide has a molecular weight of 287.79 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide is sourced from PubChem (CID 841144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).