N-(2-acetylphenyl)-3-(2-nitrophenyl)prop-2-enamide

C17H14N2O4 — CID 73449712

IUPACN-(2-acetylphenyl)-3-(2-nitrophenyl)prop-2-enamide
SMILESCC(=O)c1ccccc1NC(=O)C=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H14N2O4/c1-12(20)14-7-3-4-8-15(14)18-17(21)11-10-13-6-2-5-9-16(13)19(22)23/h2-11H,1H3,(H,18,21)
InChIKeyFZBRKBSNEBCCAV-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.45
Rot. Bonds5

About N-(2-acetylphenyl)-3-(2-nitrophenyl)prop-2-enamide

N-(2-acetylphenyl)-3-(2-nitrophenyl)prop-2-enamide (PubChem CID 73449712) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-(2-acetylphenyl)-3-(2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-3-(2-nitrophenyl)prop-2-enamide
PubChem CID73449712
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC NameN-(2-acetylphenyl)-3-(2-nitrophenyl)prop-2-enamide
SMILESCC(=O)c1ccccc1NC(=O)C=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H14N2O4/c1-12(20)14-7-3-4-8-15(14)18-17(21)11-10-13-6-2-5-9-16(13)19(22)23/h2-11H,1H3,(H,18,21)
InChIKeyFZBRKBSNEBCCAV-UHFFFAOYSA-N
XLogP3.45
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 6014839
N-(2-bromophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 4049212
N-benzyl-2-[3-(2-nitrophenyl)prop-2-enoylamino]benzamide
CID 3319172
(E)-N'-acetyl-3-(2-nitrophenyl)prop-2-enehydrazide
CID 30769477
(E)-2-(2-acetylanilino)-3-(2-nitrophenyl)prop-2-enoic acid
CID 5409042
(E)-3-(2-nitrophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 26881562
N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 690173
(Z)-N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 2303612
5-methoxy-N-methyl-2-[3-(2-nitrophenyl)prop-2-enoylamino]benzamide
CID 72684550
(E)-4-(2-nitrophenyl)but-3-en-2-one
CID 5363790
(E)-N-(4-methyl-3-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide
CID 56826558
(E)-N-[2-(difluoromethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 17395073

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-3-(2-nitrophenyl)prop-2-enamide?
The IUPAC name of N-(2-acetylphenyl)-3-(2-nitrophenyl)prop-2-enamide (CID 73449712) is N-(2-acetylphenyl)-3-(2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for N-(2-acetylphenyl)-3-(2-nitrophenyl)prop-2-enamide?
The canonical SMILES for N-(2-acetylphenyl)-3-(2-nitrophenyl)prop-2-enamide is CC(=O)c1ccccc1NC(=O)C=Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-acetylphenyl)-3-(2-nitrophenyl)prop-2-enamide?
The InChIKey is FZBRKBSNEBCCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-12(20)14-7-3-4-8-15(14)18-17(21)11-10-13-6-2-5-9-16(13)19(22)23/h2-11H,1H3,(H,18,21).
What are the key properties of N-(2-acetylphenyl)-3-(2-nitrophenyl)prop-2-enamide?
N-(2-acetylphenyl)-3-(2-nitrophenyl)prop-2-enamide has a molecular weight of 310.31 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-3-(2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 73449712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).