4-amino-N-[2-(4-aminophenyl)ethyl]benzamide

C15H17N3O — CID 110483115

IUPAC4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
SMILESNc1ccc(CCNC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C15H17N3O/c16-13-5-1-11(2-6-13)9-10-18-15(19)12-3-7-14(17)8-4-12/h1-8H,9-10,16-17H2,(H,18,19)
InChIKeyMEPCLNKXEMSYFY-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.82
Rot. Bonds4

About 4-amino-N-[2-(4-aminophenyl)ethyl]benzamide

4-amino-N-[2-(4-aminophenyl)ethyl]benzamide (PubChem CID 110483115) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-amino-N-[2-(4-aminophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
PubChem CID110483115
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
SMILESNc1ccc(CCNC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C15H17N3O/c16-13-5-1-11(2-6-13)9-10-18-15(19)12-3-7-14(17)8-4-12/h1-8H,9-10,16-17H2,(H,18,19)
InChIKeyMEPCLNKXEMSYFY-UHFFFAOYSA-N
XLogP1.82
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide
CID 119549241
4-N-[4-(2-aminoethyl)phenyl]-1-N-[2-(4-aminophenyl)ethyl]benzene-1,4-dicarboxamide
CID 170362896
4-amino-N-[2-(1-ethylpyridin-1-ium-4-yl)ethyl]benzamide
CID 145389532
N-[4-[2-(4-aminophenyl)ethylamino]-4-oxobutyl]-4-fluorobenzamide
CID 119548004
4-amino-N-(3-phenylpropyl)benzamide
CID 10658614
N-[2-(4-aminophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63209632
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 43565816
4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
CID 23389090
CID 23389090
N-[2-(4-aminophenyl)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79737144
4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
CID 22949694

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-aminophenyl)ethyl]benzamide?
The IUPAC name of 4-amino-N-[2-(4-aminophenyl)ethyl]benzamide (CID 110483115) is 4-amino-N-[2-(4-aminophenyl)ethyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-(4-aminophenyl)ethyl]benzamide?
The canonical SMILES for 4-amino-N-[2-(4-aminophenyl)ethyl]benzamide is Nc1ccc(CCNC(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-amino-N-[2-(4-aminophenyl)ethyl]benzamide?
The InChIKey is MEPCLNKXEMSYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-13-5-1-11(2-6-13)9-10-18-15(19)12-3-7-14(17)8-4-12/h1-8H,9-10,16-17H2,(H,18,19).
What are the key properties of 4-amino-N-[2-(4-aminophenyl)ethyl]benzamide?
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide has a molecular weight of 255.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-aminophenyl)ethyl]benzamide is sourced from PubChem (CID 110483115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).