N-benzhydryl-4-(3-methylphenoxy)benzamide

C27H23NO2 — CID 16650995

IUPACN-benzhydryl-4-(3-methylphenoxy)benzamide
SMILESCc1cccc(Oc2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C27H23NO2/c1-20-9-8-14-25(19-20)30-24-17-15-23(16-18-24)27(29)28-26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-19,26H,1H3,(H,28,29)
InChIKeyABYLMIBMRRXNTM-UHFFFAOYSA-N
MW393.49 g/mol
LogP6.31
Rot. Bonds6

About N-benzhydryl-4-(3-methylphenoxy)benzamide

N-benzhydryl-4-(3-methylphenoxy)benzamide (PubChem CID 16650995) has the molecular formula C27H23NO2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-benzhydryl-4-(3-methylphenoxy)benzamide.

Molecular Properties

Compound NameN-benzhydryl-4-(3-methylphenoxy)benzamide
PubChem CID16650995
Molecular FormulaC27H23NO2
Molecular Weight393.49 g/mol
Exact Mass393.17
IUPAC NameN-benzhydryl-4-(3-methylphenoxy)benzamide
SMILESCc1cccc(Oc2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C27H23NO2/c1-20-9-8-14-25(19-20)30-24-17-15-23(16-18-24)27(29)28-26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-19,26H,1H3,(H,28,29)
InChIKeyABYLMIBMRRXNTM-UHFFFAOYSA-N
XLogP6.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
N-(3-methylphenyl)-4-phenoxybenzamide
CID 7946520
N-benzhydryl-2-(3-methylphenoxy)propanamide
CID 15978225
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide
CID 16650962
N-benzhydryl-3,4-dimethylbenzamide
CID 1219840
N-(4-chlorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650944
4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 2114068
N-(2,3-dimethylphenyl)-4-(3-methylphenoxy)benzamide
CID 16650988
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
3-[(2-chlorophenyl)methoxy]-N-[(R)-(3-methylphenyl)-phenylmethyl]benzamide
CID 100749901
N-(3-fluorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650951

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-(3-methylphenoxy)benzamide?
The IUPAC name of N-benzhydryl-4-(3-methylphenoxy)benzamide (CID 16650995) is N-benzhydryl-4-(3-methylphenoxy)benzamide.
What is the SMILES notation for N-benzhydryl-4-(3-methylphenoxy)benzamide?
The canonical SMILES for N-benzhydryl-4-(3-methylphenoxy)benzamide is Cc1cccc(Oc2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2)c1.
What is the InChIKey of N-benzhydryl-4-(3-methylphenoxy)benzamide?
The InChIKey is ABYLMIBMRRXNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO2/c1-20-9-8-14-25(19-20)30-24-17-15-23(16-18-24)27(29)28-26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-19,26H,1H3,(H,28,29).
What are the key properties of N-benzhydryl-4-(3-methylphenoxy)benzamide?
N-benzhydryl-4-(3-methylphenoxy)benzamide has a molecular weight of 393.49 g/mol, XLogP of 6.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-(3-methylphenoxy)benzamide is sourced from PubChem (CID 16650995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).