N-[3-(benzylamino)-4-methoxyphenyl]-4-phenylbenzamide

C27H24N2O2 — CID 90459882

IUPACN-[3-(benzylamino)-4-methoxyphenyl]-4-phenylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1NCc1ccccc1
InChIInChI=1S/C27H24N2O2/c1-31-26-17-16-24(18-25(26)28-19-20-8-4-2-5-9-20)29-27(30)23-14-12-22(13-15-23)21-10-6-3-7-11-21/h2-18,28H,19H2,1H3,(H,29,30)
InChIKeyVHAYLQXTKUZUEJ-UHFFFAOYSA-N
MW408.50 g/mol
LogP6.23
Rot. Bonds7

About N-[3-(benzylamino)-4-methoxyphenyl]-4-phenylbenzamide

N-[3-(benzylamino)-4-methoxyphenyl]-4-phenylbenzamide (PubChem CID 90459882) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[3-(benzylamino)-4-methoxyphenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[3-(benzylamino)-4-methoxyphenyl]-4-phenylbenzamide
PubChem CID90459882
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC NameN-[3-(benzylamino)-4-methoxyphenyl]-4-phenylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1NCc1ccccc1
InChIInChI=1S/C27H24N2O2/c1-31-26-17-16-24(18-25(26)28-19-20-8-4-2-5-9-20)29-27(30)23-14-12-22(13-15-23)21-10-6-3-7-11-21/h2-18,28H,19H2,1H3,(H,29,30)
InChIKeyVHAYLQXTKUZUEJ-UHFFFAOYSA-N
XLogP6.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(2-chloroacetyl)amino]-4-methoxyphenyl]-4-phenylbenzamide
CID 90459234
4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide
CID 59736811
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
[4-[[2-methoxy-5-(phenylcarbamoyl)anilino]methyl]phenyl] acetate
CID 54035597
N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide
CID 37013397
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
N-(4-methoxynaphthalen-1-yl)-4-phenylbenzamide
CID 1190439
4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxyphenyl)benzamide
CID 10110195
N-benzyl-4-[[2-(2,5-dimethoxyanilino)acetyl]amino]benzamide
CID 54814086
N-[3-[(3-fluorophenyl)methylamino]-4-methoxyphenyl]acetamide
CID 24583317
1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109046739

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzylamino)-4-methoxyphenyl]-4-phenylbenzamide?
The IUPAC name of N-[3-(benzylamino)-4-methoxyphenyl]-4-phenylbenzamide (CID 90459882) is N-[3-(benzylamino)-4-methoxyphenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[3-(benzylamino)-4-methoxyphenyl]-4-phenylbenzamide?
The canonical SMILES for N-[3-(benzylamino)-4-methoxyphenyl]-4-phenylbenzamide is COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1NCc1ccccc1.
What is the InChIKey of N-[3-(benzylamino)-4-methoxyphenyl]-4-phenylbenzamide?
The InChIKey is VHAYLQXTKUZUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c1-31-26-17-16-24(18-25(26)28-19-20-8-4-2-5-9-20)29-27(30)23-14-12-22(13-15-23)21-10-6-3-7-11-21/h2-18,28H,19H2,1H3,(H,29,30).
What are the key properties of N-[3-(benzylamino)-4-methoxyphenyl]-4-phenylbenzamide?
N-[3-(benzylamino)-4-methoxyphenyl]-4-phenylbenzamide has a molecular weight of 408.50 g/mol, XLogP of 6.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzylamino)-4-methoxyphenyl]-4-phenylbenzamide is sourced from PubChem (CID 90459882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).