4-[4-(aminomethyl)phenyl]-N-phenylbenzamide

C20H18N2O — CID 91665672

IUPAC4-[4-(aminomethyl)phenyl]-N-phenylbenzamide
SMILESNCc1ccc(-c2ccc(C(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C20H18N2O/c21-14-15-6-8-16(9-7-15)17-10-12-18(13-11-17)20(23)22-19-4-2-1-3-5-19/h1-13H,14,21H2,(H,22,23)
InChIKeyIEELPTUZYSDFSX-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.06
Rot. Bonds4

About 4-[4-(aminomethyl)phenyl]-N-phenylbenzamide

4-[4-(aminomethyl)phenyl]-N-phenylbenzamide (PubChem CID 91665672) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-[4-(aminomethyl)phenyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[4-(aminomethyl)phenyl]-N-phenylbenzamide
PubChem CID91665672
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name4-[4-(aminomethyl)phenyl]-N-phenylbenzamide
SMILESNCc1ccc(-c2ccc(C(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C20H18N2O/c21-14-15-6-8-16(9-7-15)17-10-12-18(13-11-17)20(23)22-19-4-2-1-3-5-19/h1-13H,14,21H2,(H,22,23)
InChIKeyIEELPTUZYSDFSX-UHFFFAOYSA-N
XLogP4.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-(4-aminophenyl)benzamide
CID 90103909
4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252
N-[3-(2-phenylethyl)phenyl]-4-[4-[[3-(2-phenylethyl)phenyl]carbamoyl]phenyl]benzamide
CID 155202146
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408
4-(aminomethyl)-N-pyridin-3-ylbenzamide
CID 16774572
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
(2S)-2-amino-3-[4-[(4-phenylbenzoyl)amino]phenyl]propanoic acid
CID 58987459
4-(2-amino-2-sulfanylideneethyl)-N-phenylbenzamide
CID 82179511
N-[3-(aminomethyl)phenyl]-4-ethylbenzamide
CID 18072148
4-(aminomethyl)-N-(4-ethenylphenyl)benzamide
CID 166434633
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide
CID 29030560

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)phenyl]-N-phenylbenzamide?
The IUPAC name of 4-[4-(aminomethyl)phenyl]-N-phenylbenzamide (CID 91665672) is 4-[4-(aminomethyl)phenyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[4-(aminomethyl)phenyl]-N-phenylbenzamide?
The canonical SMILES for 4-[4-(aminomethyl)phenyl]-N-phenylbenzamide is NCc1ccc(-c2ccc(C(=O)Nc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[4-(aminomethyl)phenyl]-N-phenylbenzamide?
The InChIKey is IEELPTUZYSDFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c21-14-15-6-8-16(9-7-15)17-10-12-18(13-11-17)20(23)22-19-4-2-1-3-5-19/h1-13H,14,21H2,(H,22,23).
What are the key properties of 4-[4-(aminomethyl)phenyl]-N-phenylbenzamide?
4-[4-(aminomethyl)phenyl]-N-phenylbenzamide has a molecular weight of 302.38 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)phenyl]-N-phenylbenzamide is sourced from PubChem (CID 91665672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).