N-benzhydryl-3,4-dimethylbenzamide

C22H21NO — CID 1219840

IUPACN-benzhydryl-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C22H21NO/c1-16-13-14-20(15-17(16)2)22(24)23-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,21H,1-2H3,(H,23,24)
InChIKeyXJWJGIVHLDITEH-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.82
Rot. Bonds4

About N-benzhydryl-3,4-dimethylbenzamide

N-benzhydryl-3,4-dimethylbenzamide (PubChem CID 1219840) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is N-benzhydryl-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-benzhydryl-3,4-dimethylbenzamide
PubChem CID1219840
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC NameN-benzhydryl-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C22H21NO/c1-16-13-14-20(15-17(16)2)22(24)23-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,21H,1-2H3,(H,23,24)
InChIKeyXJWJGIVHLDITEH-UHFFFAOYSA-N
XLogP4.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methoxy-3-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 100771245
3-methoxy-4-methyl-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 18208620
N-benzhydryl-2,4,5-trimethylbenzamide
CID 100710488
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]pyridine-4-carboxamide
CID 26177693
N-[(R)-(3,4-dimethylphenyl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 26177688
3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide
CID 133160183
N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 43010004
N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide
CID 63120465
N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24649003
4-methyl-N-[(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 43909814
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
N-(diaminomethyl)-3,4-dimethylbenzamide
CID 154522714

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3,4-dimethylbenzamide?
The IUPAC name of N-benzhydryl-3,4-dimethylbenzamide (CID 1219840) is N-benzhydryl-3,4-dimethylbenzamide.
What is the SMILES notation for N-benzhydryl-3,4-dimethylbenzamide?
The canonical SMILES for N-benzhydryl-3,4-dimethylbenzamide is Cc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1C.
What is the InChIKey of N-benzhydryl-3,4-dimethylbenzamide?
The InChIKey is XJWJGIVHLDITEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c1-16-13-14-20(15-17(16)2)22(24)23-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,21H,1-2H3,(H,23,24).
What are the key properties of N-benzhydryl-3,4-dimethylbenzamide?
N-benzhydryl-3,4-dimethylbenzamide has a molecular weight of 315.42 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3,4-dimethylbenzamide is sourced from PubChem (CID 1219840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).