4-(aminomethyl)-N-(4-aminophenyl)benzamide

C14H15N3O — CID 90103909

IUPAC4-(aminomethyl)-N-(4-aminophenyl)benzamide
SMILESNCc1ccc(C(=O)Nc2ccc(N)cc2)cc1
InChIInChI=1S/C14H15N3O/c15-9-10-1-3-11(4-2-10)14(18)17-13-7-5-12(16)6-8-13/h1-8H,9,15-16H2,(H,17,18)
InChIKeyNUXSRPKPRWQTRM-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.98
Rot. Bonds3

About 4-(aminomethyl)-N-(4-aminophenyl)benzamide

4-(aminomethyl)-N-(4-aminophenyl)benzamide (PubChem CID 90103909) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-aminophenyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-aminophenyl)benzamide
PubChem CID90103909
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name4-(aminomethyl)-N-(4-aminophenyl)benzamide
SMILESNCc1ccc(C(=O)Nc2ccc(N)cc2)cc1
InChIInChI=1S/C14H15N3O/c15-9-10-1-3-11(4-2-10)14(18)17-13-7-5-12(16)6-8-13/h1-8H,9,15-16H2,(H,17,18)
InChIKeyNUXSRPKPRWQTRM-UHFFFAOYSA-N
XLogP1.98
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.98
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

4-amino-N-(4-aminophenyl)benzamide;ethanamine
CID 19078068
4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252
4-(aminomethyl)-N-(4-ethenylphenyl)benzamide
CID 166434633
4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 43707293
4-N-[4-(2-aminoethyl)phenyl]-1-N-[2-(4-aminophenyl)ethyl]benzene-1,4-dicarboxamide
CID 170362896
4-[4-(aminomethyl)phenyl]-N-phenylbenzamide
CID 91665672
4-(aminomethyl)-N-(4-nitrophenyl)benzamide
CID 43426870
4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 119278741
4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 24699191
4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide
CID 43702118
4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide
CID 134597340
N-[4-[[4-(aminomethyl)benzoyl]amino]phenyl]azepane-1-carboxamide
CID 119310690

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-aminophenyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(4-aminophenyl)benzamide (CID 90103909) is 4-(aminomethyl)-N-(4-aminophenyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-aminophenyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-aminophenyl)benzamide is NCc1ccc(C(=O)Nc2ccc(N)cc2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(4-aminophenyl)benzamide?
The InChIKey is NUXSRPKPRWQTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-9-10-1-3-11(4-2-10)14(18)17-13-7-5-12(16)6-8-13/h1-8H,9,15-16H2,(H,17,18).
What are the key properties of 4-(aminomethyl)-N-(4-aminophenyl)benzamide?
4-(aminomethyl)-N-(4-aminophenyl)benzamide has a molecular weight of 241.29 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-aminophenyl)benzamide is sourced from PubChem (CID 90103909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).