2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide

C21H17Cl2NO — CID 99951194

IUPAC2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccc([C@@H](NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)cc1
InChIInChI=1S/C21H17Cl2NO/c1-14-7-9-16(10-8-14)20(15-5-3-2-4-6-15)24-21(25)18-12-11-17(22)13-19(18)23/h2-13,20H,1H3,(H,24,25)/t20-/m0/s1
InChIKeyJFSANVXQOOBCFI-FQEVSTJZSA-N
MW370.28 g/mol
LogP5.82
Rot. Bonds4

About 2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide

2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide (PubChem CID 99951194) has the molecular formula C21H17Cl2NO and a molecular weight of 370.28 g/mol. Its IUPAC name is 2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
PubChem CID99951194
Molecular FormulaC21H17Cl2NO
Molecular Weight370.28 g/mol
Exact Mass369.07
IUPAC Name2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccc([C@@H](NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)cc1
InChIInChI=1S/C21H17Cl2NO/c1-14-7-9-16(10-8-14)20(15-5-3-2-4-6-15)24-21(25)18-12-11-17(22)13-19(18)23/h2-13,20H,1H3,(H,24,25)/t20-/m0/s1
InChIKeyJFSANVXQOOBCFI-FQEVSTJZSA-N
XLogP5.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.28
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43915384
2,5-dimethyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 100743905
2,4-dichloro-N-[[4-(cyclopropylmethylsulfanyl)phenyl]-phenylmethyl]benzamide
CID 143369039
2,4-dichloro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110286652
N-[(4-chlorophenyl)-phenylmethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 155464297
2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide
CID 16559317
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
N-(2-bromo-1-phenylethyl)-2,4-dichlorobenzamide
CID 114311124
N-benzhydryl-2,4,5-trimethylbenzamide
CID 100710488
2-chloro-N-(2-chloro-1-phenylethyl)-4-methylbenzamide
CID 106863896
(E)-3-(4-chlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]prop-2-enamide
CID 43915668
2,4-dichloro-N-[2-[[(4-ethoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 46433559

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide (CID 99951194) is 2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide is Cc1ccc([C@@H](NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)cc1.
What is the InChIKey of 2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide?
The InChIKey is JFSANVXQOOBCFI-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H17Cl2NO/c1-14-7-9-16(10-8-14)20(15-5-3-2-4-6-15)24-21(25)18-12-11-17(22)13-19(18)23/h2-13,20H,1H3,(H,24,25)/t20-/m0/s1.
What are the key properties of 2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide?
2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide has a molecular weight of 370.28 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide is sourced from PubChem (CID 99951194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).