N-(2-chlorophenyl)-3-(4-nitrophenyl)-3-oxopropanamide

C15H11ClN2O4 — CID 688188

IUPACN-(2-chlorophenyl)-3-(4-nitrophenyl)-3-oxopropanamide
SMILESO=C(CC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cl
InChIInChI=1S/C15H11ClN2O4/c16-12-3-1-2-4-13(12)17-15(20)9-14(19)10-5-7-11(8-6-10)18(21)22/h1-8H,9H2,(H,17,20)
InChIKeyJWPZXDPPTKHUBO-UHFFFAOYSA-N
MW318.72 g/mol
LogP3.46
Rot. Bonds5

About N-(2-chlorophenyl)-3-(4-nitrophenyl)-3-oxopropanamide

N-(2-chlorophenyl)-3-(4-nitrophenyl)-3-oxopropanamide (PubChem CID 688188) has the molecular formula C15H11ClN2O4 and a molecular weight of 318.72 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(4-nitrophenyl)-3-oxopropanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(4-nitrophenyl)-3-oxopropanamide
PubChem CID688188
Molecular FormulaC15H11ClN2O4
Molecular Weight318.72 g/mol
Exact Mass318.04
IUPAC NameN-(2-chlorophenyl)-3-(4-nitrophenyl)-3-oxopropanamide
SMILESO=C(CC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cl
InChIInChI=1S/C15H11ClN2O4/c16-12-3-1-2-4-13(12)17-15(20)9-14(19)10-5-7-11(8-6-10)18(21)22/h1-8H,9H2,(H,17,20)
InChIKeyJWPZXDPPTKHUBO-UHFFFAOYSA-N
XLogP3.46
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.72
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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

N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 4875964
N-(2-chlorophenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide
CID 5254130
1-(2-chlorophenyl)-3-[(4-nitrobenzoyl)amino]urea
CID 4850582
N-[(2-chlorophenyl)carbamothioyl]-4-nitrobenzamide
CID 932726
N'-(2-chlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108500250
N-(2-chlorophenyl)-2-nitroacetamide
CID 15013666
[2-(2-chloroanilino)-2-oxoethyl]-[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 9037855
3-(2-chloro-5-nitroanilino)-3-oxopropanoic acid
CID 62231127
(2R)-N-(2-chlorophenyl)-2-(4-nitrophenyl)propanamide
CID 895147
N-(2-chlorophenyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)acetamide
CID 8632179
N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 772340
N-(2-chloro-5-nitrophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 3313199

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(4-nitrophenyl)-3-oxopropanamide?
The IUPAC name of N-(2-chlorophenyl)-3-(4-nitrophenyl)-3-oxopropanamide (CID 688188) is N-(2-chlorophenyl)-3-(4-nitrophenyl)-3-oxopropanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(4-nitrophenyl)-3-oxopropanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(4-nitrophenyl)-3-oxopropanamide is O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-(4-nitrophenyl)-3-oxopropanamide?
The InChIKey is JWPZXDPPTKHUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O4/c16-12-3-1-2-4-13(12)17-15(20)9-14(19)10-5-7-11(8-6-10)18(21)22/h1-8H,9H2,(H,17,20).
What are the key properties of N-(2-chlorophenyl)-3-(4-nitrophenyl)-3-oxopropanamide?
N-(2-chlorophenyl)-3-(4-nitrophenyl)-3-oxopropanamide has a molecular weight of 318.72 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(4-nitrophenyl)-3-oxopropanamide is sourced from PubChem (CID 688188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).