N-(2-aminophenyl)-4-[(E)-3-oxoprop-1-enyl]benzamide

C16H14N2O2 — CID 141088053

IUPACN-(2-aminophenyl)-4-[(E)-3-oxoprop-1-enyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(/C=C/C=O)cc1
InChIInChI=1S/C16H14N2O2/c17-14-5-1-2-6-15(14)18-16(20)13-9-7-12(8-10-13)4-3-11-19/h1-11H,17H2,(H,18,20)/b4-3+
InChIKeyACDDPWYAJHTJPS-ONEGZZNKSA-N
MW266.30 g/mol
LogP2.73
Rot. Bonds4

About N-(2-aminophenyl)-4-[(E)-3-oxoprop-1-enyl]benzamide

N-(2-aminophenyl)-4-[(E)-3-oxoprop-1-enyl]benzamide (PubChem CID 141088053) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(E)-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(E)-3-oxoprop-1-enyl]benzamide
PubChem CID141088053
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN-(2-aminophenyl)-4-[(E)-3-oxoprop-1-enyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(/C=C/C=O)cc1
InChIInChI=1S/C16H14N2O2/c17-14-5-1-2-6-15(14)18-16(20)13-9-7-12(8-10-13)4-3-11-19/h1-11H,17H2,(H,18,20)/b4-3+
InChIKeyACDDPWYAJHTJPS-ONEGZZNKSA-N
XLogP2.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.73
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
4-[3-(N-aminoanilino)-3-oxoprop-1-enyl]-N-(2-aminophenyl)benzamide
CID 66893885
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
N-(2-aminophenyl)-4-(3-morpholin-4-yl-3-oxoprop-1-enyl)benzamide
CID 68976485
N-(2-aminophenyl)-4-[3-(2,3-dihydro-1H-inden-2-ylamino)-3-oxoprop-1-enyl]benzamide
CID 68977988
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
N-(2-aminophenyl)-4-(3-methyl-2,4-dioxopentan-3-yl)benzamide
CID 59376462
N-(2-aminophenyl)-6-oxopyran-3-carboxamide
CID 43600019
N-(2-aminophenyl)-4-[bis(2-chloroethyl)amino]benzamide
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N-(2-aminophenyl)-4-naphthalen-2-yloxybenzamide
CID 10760610
N-(2-aminophenyl)-4-[3-(1,3-benzothiazol-2-ylamino)prop-1-enyl]benzamide
CID 85081146

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(E)-3-oxoprop-1-enyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(E)-3-oxoprop-1-enyl]benzamide (CID 141088053) is N-(2-aminophenyl)-4-[(E)-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(E)-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(E)-3-oxoprop-1-enyl]benzamide is Nc1ccccc1NC(=O)c1ccc(/C=C/C=O)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[(E)-3-oxoprop-1-enyl]benzamide?
The InChIKey is ACDDPWYAJHTJPS-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H14N2O2/c17-14-5-1-2-6-15(14)18-16(20)13-9-7-12(8-10-13)4-3-11-19/h1-11H,17H2,(H,18,20)/b4-3+.
What are the key properties of N-(2-aminophenyl)-4-[(E)-3-oxoprop-1-enyl]benzamide?
N-(2-aminophenyl)-4-[(E)-3-oxoprop-1-enyl]benzamide has a molecular weight of 266.30 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(E)-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 141088053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).