N-(3-aminophenyl)-4-formylbenzamide

C14H12N2O2 — CID 57292924

IUPACN-(3-aminophenyl)-4-formylbenzamide
SMILESNc1cccc(NC(=O)c2ccc(C=O)cc2)c1
InChIInChI=1S/C14H12N2O2/c15-12-2-1-3-13(8-12)16-14(18)11-6-4-10(9-17)5-7-11/h1-9H,15H2,(H,16,18)
InChIKeyNRWABZPYVXGTFO-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.33
Rot. Bonds3

About N-(3-aminophenyl)-4-formylbenzamide

N-(3-aminophenyl)-4-formylbenzamide (PubChem CID 57292924) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-(3-aminophenyl)-4-formylbenzamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-4-formylbenzamide
PubChem CID57292924
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC NameN-(3-aminophenyl)-4-formylbenzamide
SMILESNc1cccc(NC(=O)c2ccc(C=O)cc2)c1
InChIInChI=1S/C14H12N2O2/c15-12-2-1-3-13(8-12)16-14(18)11-6-4-10(9-17)5-7-11/h1-9H,15H2,(H,16,18)
InChIKeyNRWABZPYVXGTFO-UHFFFAOYSA-N
XLogP2.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-[4-[(4-formylbenzoyl)amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide
CID 144544171
3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
CID 121331562
tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[3-[(4-formylbenzoyl)amino]phenyl]carbamate;N,N-diethylethanamine;4-formylbenzoyl chloride
CID 158908586
N-(3-formylphenyl)-4-methylbenzamide
CID 2339361
tert-butyl N-[3-[(4-formylbenzoyl)amino]phenyl]carbamate
CID 134492042
N-(3-aminophenyl)pyrimidine-5-carboxamide
CID 102921225
N-(3-aminophenyl)furan-3-carboxamide
CID 16774426
N-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-4-formylbenzamide;2-methylpropane
CID 142377854
N-(3-aminophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 28867144
N-(3-aminophenyl)-4-[(4-oxo-1-pyridinyl)methyl]benzamide
CID 92939420
N-(3-aminophenyl)-3-hydroxy-4-methoxybenzamide
CID 79726483
N-(4-formylphenyl)naphthalene-2-carboxamide
CID 87842384

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-4-formylbenzamide?
The IUPAC name of N-(3-aminophenyl)-4-formylbenzamide (CID 57292924) is N-(3-aminophenyl)-4-formylbenzamide.
What is the SMILES notation for N-(3-aminophenyl)-4-formylbenzamide?
The canonical SMILES for N-(3-aminophenyl)-4-formylbenzamide is Nc1cccc(NC(=O)c2ccc(C=O)cc2)c1.
What is the InChIKey of N-(3-aminophenyl)-4-formylbenzamide?
The InChIKey is NRWABZPYVXGTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c15-12-2-1-3-13(8-12)16-14(18)11-6-4-10(9-17)5-7-11/h1-9H,15H2,(H,16,18).
What are the key properties of N-(3-aminophenyl)-4-formylbenzamide?
N-(3-aminophenyl)-4-formylbenzamide has a molecular weight of 240.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-4-formylbenzamide is sourced from PubChem (CID 57292924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).