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

C14H15N3O — CID 90105203

IUPACN-(aminomethyl)-N-(4-aminophenyl)benzamide
SMILESNCN(C(=O)c1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C14H15N3O/c15-10-17(13-8-6-12(16)7-9-13)14(18)11-4-2-1-3-5-11/h1-9H,10,15-16H2
InChIKeyBPALFEQGNOFVDO-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.83
Rot. Bonds3

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

N-(aminomethyl)-N-(4-aminophenyl)benzamide (PubChem CID 90105203) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(aminomethyl)-N-(4-aminophenyl)benzamide.

Molecular Properties

Compound NameN-(aminomethyl)-N-(4-aminophenyl)benzamide
PubChem CID90105203
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-(aminomethyl)-N-(4-aminophenyl)benzamide
SMILESNCN(C(=O)c1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C14H15N3O/c15-10-17(13-8-6-12(16)7-9-13)14(18)11-4-2-1-3-5-11/h1-9H,10,15-16H2
InChIKeyBPALFEQGNOFVDO-UHFFFAOYSA-N
XLogP1.83
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-aminophenyl)-benzylcarbamic acid
CID 69046621
N'-(4-aminophenyl)-N,N'-dimethylbenzohydrazide;hydrochloride
CID 68696600
N-(4-aminophenyl)-3-(dimethylamino)-N-ethylbenzamide
CID 63233645
1-(4-aminophenyl)-1-benzylurea
CID 154248103
N-benzoyl-N-[4-(dibenzoylamino)phenyl]benzamide
CID 171577154
4-amino-N-methyl-N-phenylbenzamide
CID 4306081
N-(3-aminophenyl)-N-ethylbenzamide
CID 63229786
N-[4-[[4-[benzoyl(chloromethyl)amino]phenyl]diazenyl]phenyl]-N-(chloromethyl)benzamide
CID 87325388
N-[4-[2-[4-[benzoyl(chloromethyl)amino]phenyl]ethenyl]phenyl]-N-(chloromethyl)benzamide
CID 67249813
(4-aminophenyl)-phenylmethanone
CID 14346
N-(2-aminoethyl)-3-fluoro-N-phenylbenzamide
CID 28768548
4-(dimethylamino)-N-phenacyl-N-phenylbenzamide
CID 5073798

Frequently Asked Questions

What is the IUPAC name of N-(aminomethyl)-N-(4-aminophenyl)benzamide?
The IUPAC name of N-(aminomethyl)-N-(4-aminophenyl)benzamide (CID 90105203) is N-(aminomethyl)-N-(4-aminophenyl)benzamide.
What is the SMILES notation for N-(aminomethyl)-N-(4-aminophenyl)benzamide?
The canonical SMILES for N-(aminomethyl)-N-(4-aminophenyl)benzamide is NCN(C(=O)c1ccccc1)c1ccc(N)cc1.
What is the InChIKey of N-(aminomethyl)-N-(4-aminophenyl)benzamide?
The InChIKey is BPALFEQGNOFVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-10-17(13-8-6-12(16)7-9-13)14(18)11-4-2-1-3-5-11/h1-9H,10,15-16H2.
What are the key properties of N-(aminomethyl)-N-(4-aminophenyl)benzamide?
N-(aminomethyl)-N-(4-aminophenyl)benzamide has a molecular weight of 241.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)-N-(4-aminophenyl)benzamide is sourced from PubChem (CID 90105203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).