4-amino-N-(4-aminophenyl)benzamide;ethanamine

C15H20N4O — CID 19078068

IUPAC4-amino-N-(4-aminophenyl)benzamide;ethanamine
SMILESCCN.Nc1ccc(NC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C13H13N3O.C2H7N/c14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12;1-2-3/h1-8H,14-15H2,(H,16,17);2-3H2,1H3
InChIKeyQIPCQNAJANHRDY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.07
Rot. Bonds2

About 4-amino-N-(4-aminophenyl)benzamide;ethanamine

4-amino-N-(4-aminophenyl)benzamide;ethanamine (PubChem CID 19078068) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-N-(4-aminophenyl)benzamide;ethanamine.

Molecular Properties

Compound Name4-amino-N-(4-aminophenyl)benzamide;ethanamine
PubChem CID19078068
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-amino-N-(4-aminophenyl)benzamide;ethanamine
SMILESCCN.Nc1ccc(NC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C13H13N3O.C2H7N/c14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12;1-2-3/h1-8H,14-15H2,(H,16,17);2-3H2,1H3
InChIKeyQIPCQNAJANHRDY-UHFFFAOYSA-N
XLogP2.07
TPSA107.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

4-(aminomethyl)-N-(4-aminophenyl)benzamide
CID 90103909
4-amino-N-(4-hydroxyphenyl)benzamide;N-methylmethanamine;propane
CID 145495797
4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 119738238
4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 43707293
4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide
CID 134597340
N-(4-aminophenyl)-4-(2-methylpropanoyl)benzamide;2-methylpropane
CID 144512975
N-(4-aminophenyl)benzamide;ethane;ethene
CID 144544387
4-amino-N-(4-propan-2-yloxyphenyl)benzamide
CID 28722589
N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636
4-amino-N-[4-[3-amino-5-[4-[(4-aminobenzoyl)amino]phenyl]phenyl]phenyl]benzamide
CID 150367219
N-(4-aminophenyl)-4-ethenylbenzamide
CID 13082944
4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide
CID 129035701

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-aminophenyl)benzamide;ethanamine?
The IUPAC name of 4-amino-N-(4-aminophenyl)benzamide;ethanamine (CID 19078068) is 4-amino-N-(4-aminophenyl)benzamide;ethanamine.
What is the SMILES notation for 4-amino-N-(4-aminophenyl)benzamide;ethanamine?
The canonical SMILES for 4-amino-N-(4-aminophenyl)benzamide;ethanamine is CCN.Nc1ccc(NC(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-amino-N-(4-aminophenyl)benzamide;ethanamine?
The InChIKey is QIPCQNAJANHRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O.C2H7N/c14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12;1-2-3/h1-8H,14-15H2,(H,16,17);2-3H2,1H3.
What are the key properties of 4-amino-N-(4-aminophenyl)benzamide;ethanamine?
4-amino-N-(4-aminophenyl)benzamide;ethanamine has a molecular weight of 272.35 g/mol, XLogP of 2.07, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-aminophenyl)benzamide;ethanamine is sourced from PubChem (CID 19078068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).