4-amino-N-[2-(2-amino-2-oxoethyl)phenyl]benzamide

C15H15N3O2 — CID 43697115

IUPAC4-amino-N-[2-(2-amino-2-oxoethyl)phenyl]benzamide
SMILESNC(=O)Cc1ccccc1NC(=O)c1ccc(N)cc1
InChIInChI=1S/C15H15N3O2/c16-12-7-5-10(6-8-12)15(20)18-13-4-2-1-3-11(13)9-14(17)19/h1-8H,9,16H2,(H2,17,19)(H,18,20)
InChIKeyUSNNEASFKLFTRS-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.55
Rot. Bonds4

About 4-amino-N-[2-(2-amino-2-oxoethyl)phenyl]benzamide

4-amino-N-[2-(2-amino-2-oxoethyl)phenyl]benzamide (PubChem CID 43697115) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-amino-N-[2-(2-amino-2-oxoethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-amino-2-oxoethyl)phenyl]benzamide
PubChem CID43697115
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-amino-N-[2-(2-amino-2-oxoethyl)phenyl]benzamide
SMILESNC(=O)Cc1ccccc1NC(=O)c1ccc(N)cc1
InChIInChI=1S/C15H15N3O2/c16-12-7-5-10(6-8-12)15(20)18-13-4-2-1-3-11(13)9-14(17)19/h1-8H,9,16H2,(H2,17,19)(H,18,20)
InChIKeyUSNNEASFKLFTRS-UHFFFAOYSA-N
XLogP1.55
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-aminophenyl)methyl]phenyl]-4-hydroxybenzamide
CID 101277605
4-carbamothioyl-N-(2-ethylphenyl)benzamide
CID 24701892
N-[2-(2-amino-2-oxoethyl)phenyl]-3-bromo-4-methoxybenzamide
CID 47037283
N-[2-(2-amino-2-oxoethyl)phenyl]-5-bromopyridine-3-carboxamide
CID 47166830
N-[2-(2-amino-2-oxoethyl)phenyl]-2-fluoropyridine-4-carboxamide
CID 61295295
N-[2-(2-amino-2-oxoethyl)phenyl]-1-benzylpyrazole-4-carboxamide
CID 87045497
4-(aminomethyl)-N-(2-ethylphenyl)benzamide
CID 16782121
N-[2-(sulfanylmethyl)phenyl]benzamide
CID 173232561
N-[2-(2-amino-2-oxoethyl)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 55603942
N-[2-[(4-aminophenyl)methyl]phenyl]-3-hydroxybenzamide
CID 101277604
N-[2-(2-amino-2-oxoethyl)phenyl]-2-bromo-2-methylpropanamide
CID 114327737
2-[2-[(4-methylsulfanylbenzoyl)amino]phenyl]acetic acid
CID 62536865

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-amino-2-oxoethyl)phenyl]benzamide?
The IUPAC name of 4-amino-N-[2-(2-amino-2-oxoethyl)phenyl]benzamide (CID 43697115) is 4-amino-N-[2-(2-amino-2-oxoethyl)phenyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-(2-amino-2-oxoethyl)phenyl]benzamide?
The canonical SMILES for 4-amino-N-[2-(2-amino-2-oxoethyl)phenyl]benzamide is NC(=O)Cc1ccccc1NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[2-(2-amino-2-oxoethyl)phenyl]benzamide?
The InChIKey is USNNEASFKLFTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-12-7-5-10(6-8-12)15(20)18-13-4-2-1-3-11(13)9-14(17)19/h1-8H,9,16H2,(H2,17,19)(H,18,20).
What are the key properties of 4-amino-N-[2-(2-amino-2-oxoethyl)phenyl]benzamide?
4-amino-N-[2-(2-amino-2-oxoethyl)phenyl]benzamide has a molecular weight of 269.30 g/mol, XLogP of 1.55, 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-(2-amino-2-oxoethyl)phenyl]benzamide is sourced from PubChem (CID 43697115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).