N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide

C21H20N2O — CID 20786059

IUPACN-(2-aminophenyl)-4-(3-ethylphenyl)benzamide
SMILESCCc1cccc(-c2ccc(C(=O)Nc3ccccc3N)cc2)c1
InChIInChI=1S/C21H20N2O/c1-2-15-6-5-7-18(14-15)16-10-12-17(13-11-16)21(24)23-20-9-4-3-8-19(20)22/h3-14H,2,22H2,1H3,(H,23,24)
InChIKeyNEJXRDZNVONARX-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.75
Rot. Bonds4

About N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide

N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide (PubChem CID 20786059) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(3-ethylphenyl)benzamide
PubChem CID20786059
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC NameN-(2-aminophenyl)-4-(3-ethylphenyl)benzamide
SMILESCCc1cccc(-c2ccc(C(=O)Nc3ccccc3N)cc2)c1
InChIInChI=1S/C21H20N2O/c1-2-15-6-5-7-18(14-15)16-10-12-17(13-11-16)21(24)23-20-9-4-3-8-19(20)22/h3-14H,2,22H2,1H3,(H,23,24)
InChIKeyNEJXRDZNVONARX-UHFFFAOYSA-N
XLogP4.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide;4-(3-formylphenyl)-N-(2-methylphenyl)benzamide;4-iodo-N-(2-methylphenyl)benzamide;2-methyl-2,3-dihydro-1H-indene
CID 160507441
4-(3-ethylphenyl)benzamide
CID 54454087
N-(3-amino-2-methylphenyl)-4-ethylbenzamide
CID 18072928
N-(2-bromo-4-ethylphenyl)-4-phenylbenzamide
CID 53268266
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid
CID 68778186
N-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide
CID 25156529
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl N-ethylcarbamate
CID 91362734
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide
CID 126707746

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide?
The IUPAC name of N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide (CID 20786059) is N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide is CCc1cccc(-c2ccc(C(=O)Nc3ccccc3N)cc2)c1.
What is the InChIKey of N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide?
The InChIKey is NEJXRDZNVONARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-2-15-6-5-7-18(14-15)16-10-12-17(13-11-16)21(24)23-20-9-4-3-8-19(20)22/h3-14H,2,22H2,1H3,(H,23,24).
What are the key properties of N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide?
N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide has a molecular weight of 316.40 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide is sourced from PubChem (CID 20786059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).