(3S)-N-[(2-chlorophenyl)methyl]-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide

C23H22ClNO2 — CID 7476976

IUPAC(3S)-N-[(2-chlorophenyl)methyl]-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(O)c([C@@H](CC(=O)NCc2ccccc2Cl)c2ccccc2)c1
InChIInChI=1S/C23H22ClNO2/c1-16-11-12-22(26)20(13-16)19(17-7-3-2-4-8-17)14-23(27)25-15-18-9-5-6-10-21(18)24/h2-13,19,26H,14-15H2,1H3,(H,25,27)/t19-/m0/s1
InChIKeyBPOKFAKORYVHMA-IBGZPJMESA-N
MW379.89 g/mol
LogP5.19
Rot. Bonds6

About (3S)-N-[(2-chlorophenyl)methyl]-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide

(3S)-N-[(2-chlorophenyl)methyl]-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide (PubChem CID 7476976) has the molecular formula C23H22ClNO2 and a molecular weight of 379.89 g/mol. Its IUPAC name is (3S)-N-[(2-chlorophenyl)methyl]-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-N-[(2-chlorophenyl)methyl]-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide
PubChem CID7476976
Molecular FormulaC23H22ClNO2
Molecular Weight379.89 g/mol
Exact Mass379.13
IUPAC Name(3S)-N-[(2-chlorophenyl)methyl]-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(O)c([C@@H](CC(=O)NCc2ccccc2Cl)c2ccccc2)c1
InChIInChI=1S/C23H22ClNO2/c1-16-11-12-22(26)20(13-16)19(17-7-3-2-4-8-17)14-23(27)25-15-18-9-5-6-10-21(18)24/h2-13,19,26H,14-15H2,1H3,(H,25,27)/t19-/m0/s1
InChIKeyBPOKFAKORYVHMA-IBGZPJMESA-N
XLogP5.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.89
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-benzyl-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide
CID 27377336
(3R)-3-(2-chlorophenyl)-N-[(2,4-dihydroxyphenyl)methyl]-3-phenylpropanamide
CID 97282351
(3R)-3-(2-hydroxy-5-methylphenyl)-3-phenyl-N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 1330077
3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 4999569
(3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 9165289
2-benzhydrylsulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 47003835
2-(2-chlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 17327434
3-(aminomethyl)-N-[(2-chlorophenyl)methyl]pentanamide
CID 81070620
N-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684123
2-[[(2-chlorophenyl)methylamino]methyl]-4-methylphenol
CID 63323116
2-[(1S)-3-hydroxy-1-phenylpropyl]-4-methylphenol
CID 16754102
3-amino-N-[(2,4-dimethylphenyl)methyl]-3-phenylpropanamide
CID 119949663

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2-chlorophenyl)methyl]-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide?
The IUPAC name of (3S)-N-[(2-chlorophenyl)methyl]-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide (CID 7476976) is (3S)-N-[(2-chlorophenyl)methyl]-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (3S)-N-[(2-chlorophenyl)methyl]-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for (3S)-N-[(2-chlorophenyl)methyl]-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide is Cc1ccc(O)c([C@@H](CC(=O)NCc2ccccc2Cl)c2ccccc2)c1.
What is the InChIKey of (3S)-N-[(2-chlorophenyl)methyl]-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide?
The InChIKey is BPOKFAKORYVHMA-IBGZPJMESA-N. The full InChI is InChI=1S/C23H22ClNO2/c1-16-11-12-22(26)20(13-16)19(17-7-3-2-4-8-17)14-23(27)25-15-18-9-5-6-10-21(18)24/h2-13,19,26H,14-15H2,1H3,(H,25,27)/t19-/m0/s1.
What are the key properties of (3S)-N-[(2-chlorophenyl)methyl]-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide?
(3S)-N-[(2-chlorophenyl)methyl]-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide has a molecular weight of 379.89 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2-chlorophenyl)methyl]-3-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 7476976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).