N-(5-amino-2-phenylphenyl)-4-(hydroxymethyl)benzamide

C20H18N2O2 — CID 174575864

IUPACN-(5-amino-2-phenylphenyl)-4-(hydroxymethyl)benzamide
SMILESNc1ccc(-c2ccccc2)c(NC(=O)c2ccc(CO)cc2)c1
InChIInChI=1S/C20H18N2O2/c21-17-10-11-18(15-4-2-1-3-5-15)19(12-17)22-20(24)16-8-6-14(13-23)7-9-16/h1-12,23H,13,21H2,(H,22,24)
InChIKeyPYMZSZOQZNBDOE-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.68
Rot. Bonds4

About N-(5-amino-2-phenylphenyl)-4-(hydroxymethyl)benzamide

N-(5-amino-2-phenylphenyl)-4-(hydroxymethyl)benzamide (PubChem CID 174575864) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(5-amino-2-phenylphenyl)-4-(hydroxymethyl)benzamide.

Molecular Properties

Compound NameN-(5-amino-2-phenylphenyl)-4-(hydroxymethyl)benzamide
PubChem CID174575864
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-(5-amino-2-phenylphenyl)-4-(hydroxymethyl)benzamide
SMILESNc1ccc(-c2ccccc2)c(NC(=O)c2ccc(CO)cc2)c1
InChIInChI=1S/C20H18N2O2/c21-17-10-11-18(15-4-2-1-3-5-15)19(12-17)22-20(24)16-8-6-14(13-23)7-9-16/h1-12,23H,13,21H2,(H,22,24)
InChIKeyPYMZSZOQZNBDOE-UHFFFAOYSA-N
XLogP3.68
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-phenylphenyl)-4-[(4R)-4-(dimethylamino)-2-iminopentyl]benzamide
CID 174575983
N-(5-amino-2-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide
CID 174590628
4-[(3S)-3-acetamidopyrrolidin-1-yl]-N-(5-amino-2-phenylphenyl)benzamide
CID 174677274
N-(5-amino-2-phenylphenyl)-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]benzamide
CID 174689316
N-(5-amino-2-phenylphenyl)-4-[(3S)-3-[[2-(dimethylamino)acetyl]amino]pyrrolidin-1-yl]benzamide
CID 174689348
N-(5-amino-2-bromophenyl)benzamide
CID 833748
tert-butyl N-(5-amino-2-phenylphenyl)carbamate
CID 68789510
N-(5-amino-2-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]benzamide
CID 89462725
5-amino-2-benzamidobenzenesulfonic acid
CID 19865734
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
N-(5-amino-2-methylphenyl)-4-phenoxybenzamide
CID 57326481
4-amino-N-(2-phenylphenyl)-1H-pyrrole-2-carboxamide
CID 43642657

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-phenylphenyl)-4-(hydroxymethyl)benzamide?
The IUPAC name of N-(5-amino-2-phenylphenyl)-4-(hydroxymethyl)benzamide (CID 174575864) is N-(5-amino-2-phenylphenyl)-4-(hydroxymethyl)benzamide.
What is the SMILES notation for N-(5-amino-2-phenylphenyl)-4-(hydroxymethyl)benzamide?
The canonical SMILES for N-(5-amino-2-phenylphenyl)-4-(hydroxymethyl)benzamide is Nc1ccc(-c2ccccc2)c(NC(=O)c2ccc(CO)cc2)c1.
What is the InChIKey of N-(5-amino-2-phenylphenyl)-4-(hydroxymethyl)benzamide?
The InChIKey is PYMZSZOQZNBDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c21-17-10-11-18(15-4-2-1-3-5-15)19(12-17)22-20(24)16-8-6-14(13-23)7-9-16/h1-12,23H,13,21H2,(H,22,24).
What are the key properties of N-(5-amino-2-phenylphenyl)-4-(hydroxymethyl)benzamide?
N-(5-amino-2-phenylphenyl)-4-(hydroxymethyl)benzamide has a molecular weight of 318.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-phenylphenyl)-4-(hydroxymethyl)benzamide is sourced from PubChem (CID 174575864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).