N-benzhydryl-2-[(3-methylphenyl)methoxy]benzamide

C28H25NO2 — CID 7930966

IUPACN-benzhydryl-2-[(3-methylphenyl)methoxy]benzamide
SMILESCc1cccc(COc2ccccc2C(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C28H25NO2/c1-21-11-10-12-22(19-21)20-31-26-18-9-8-17-25(26)28(30)29-27(23-13-4-2-5-14-23)24-15-6-3-7-16-24/h2-19,27H,20H2,1H3,(H,29,30)
InChIKeyRSUNWUQPTASPIT-UHFFFAOYSA-N
MW407.51 g/mol
LogP6.09
Rot. Bonds7

About N-benzhydryl-2-[(3-methylphenyl)methoxy]benzamide

N-benzhydryl-2-[(3-methylphenyl)methoxy]benzamide (PubChem CID 7930966) has the molecular formula C28H25NO2 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-benzhydryl-2-[(3-methylphenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-benzhydryl-2-[(3-methylphenyl)methoxy]benzamide
PubChem CID7930966
Molecular FormulaC28H25NO2
Molecular Weight407.51 g/mol
Exact Mass407.19
IUPAC NameN-benzhydryl-2-[(3-methylphenyl)methoxy]benzamide
SMILESCc1cccc(COc2ccccc2C(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C28H25NO2/c1-21-11-10-12-22(19-21)20-31-26-18-9-8-17-25(26)28(30)29-27(23-13-4-2-5-14-23)24-15-6-3-7-16-24/h2-19,27H,20H2,1H3,(H,29,30)
InChIKeyRSUNWUQPTASPIT-UHFFFAOYSA-N
XLogP6.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methylphenyl)methoxy]-N-propan-2-ylbenzamide
CID 18160109
2-[(3-methylphenyl)methoxy]-N-phenylbenzamide
CID 18280998
N-(2-hydroxyphenyl)-2-[(3-methylphenyl)methoxy]benzamide
CID 25494578
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenylmethoxybenzamide
CID 28566302
N-(4-hydroxycyclohexyl)-2-[(3-methylphenyl)methoxy]benzamide
CID 24982275
3-[(3-methylphenyl)methoxy]phthalic acid
CID 66906397
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 2500439
5-fluoro-2-[(3-methylphenyl)methoxy]benzoic acid
CID 115298089
N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methoxy]benzamide
CID 7915256
2-[(3-methylphenyl)methoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 34828421
2-phenylmethoxy-N-(2-phenylpropyl)benzamide
CID 133164529
(2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoic acid
CID 54368898

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[(3-methylphenyl)methoxy]benzamide?
The IUPAC name of N-benzhydryl-2-[(3-methylphenyl)methoxy]benzamide (CID 7930966) is N-benzhydryl-2-[(3-methylphenyl)methoxy]benzamide.
What is the SMILES notation for N-benzhydryl-2-[(3-methylphenyl)methoxy]benzamide?
The canonical SMILES for N-benzhydryl-2-[(3-methylphenyl)methoxy]benzamide is Cc1cccc(COc2ccccc2C(=O)NC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-benzhydryl-2-[(3-methylphenyl)methoxy]benzamide?
The InChIKey is RSUNWUQPTASPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO2/c1-21-11-10-12-22(19-21)20-31-26-18-9-8-17-25(26)28(30)29-27(23-13-4-2-5-14-23)24-15-6-3-7-16-24/h2-19,27H,20H2,1H3,(H,29,30).
What are the key properties of N-benzhydryl-2-[(3-methylphenyl)methoxy]benzamide?
N-benzhydryl-2-[(3-methylphenyl)methoxy]benzamide has a molecular weight of 407.51 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[(3-methylphenyl)methoxy]benzamide is sourced from PubChem (CID 7930966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).