N-benzhydryl-2,4,5-trimethylbenzamide

C23H23NO — CID 100710488

IUPACN-benzhydryl-2,4,5-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC(c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C23H23NO/c1-16-14-18(3)21(15-17(16)2)23(25)24-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,22H,1-3H3,(H,24,25)
InChIKeyXRMGPUIBXQYJKV-UHFFFAOYSA-N
MW329.44 g/mol
LogP5.13
Rot. Bonds4

About N-benzhydryl-2,4,5-trimethylbenzamide

N-benzhydryl-2,4,5-trimethylbenzamide (PubChem CID 100710488) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is N-benzhydryl-2,4,5-trimethylbenzamide.

Molecular Properties

Compound NameN-benzhydryl-2,4,5-trimethylbenzamide
PubChem CID100710488
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC NameN-benzhydryl-2,4,5-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC(c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C23H23NO/c1-16-14-18(3)21(15-17(16)2)23(25)24-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,22H,1-3H3,(H,24,25)
InChIKeyXRMGPUIBXQYJKV-UHFFFAOYSA-N
XLogP5.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzhydryl-3,4-dimethylbenzamide
CID 1219840
2,5-dimethyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 100743905
2,4,5-trimethyl-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 100710084
N-benzhydryl-2-methyl-5-methylsulfonylbenzamide
CID 27254371
N-[(2,4-dimethylphenyl)-phenylmethyl]-2,5-dimethylbenzamide
CID 133200142
2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 99951194
2-methyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 28578946
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 976350
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 2949574
N-benzhydryl-2-iodobenzamide
CID 2255693
4-methoxy-3-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 100771245
3-methoxy-4-methyl-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 18208620

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2,4,5-trimethylbenzamide?
The IUPAC name of N-benzhydryl-2,4,5-trimethylbenzamide (CID 100710488) is N-benzhydryl-2,4,5-trimethylbenzamide.
What is the SMILES notation for N-benzhydryl-2,4,5-trimethylbenzamide?
The canonical SMILES for N-benzhydryl-2,4,5-trimethylbenzamide is Cc1cc(C)c(C(=O)NC(c2ccccc2)c2ccccc2)cc1C.
What is the InChIKey of N-benzhydryl-2,4,5-trimethylbenzamide?
The InChIKey is XRMGPUIBXQYJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-16-14-18(3)21(15-17(16)2)23(25)24-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,22H,1-3H3,(H,24,25).
What are the key properties of N-benzhydryl-2,4,5-trimethylbenzamide?
N-benzhydryl-2,4,5-trimethylbenzamide has a molecular weight of 329.44 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2,4,5-trimethylbenzamide is sourced from PubChem (CID 100710488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).