acetamide;(4-chlorophenyl)-(2-nitrophenyl)methanone

C15H13ClN2O4 — CID 70358542

IUPACacetamide;(4-chlorophenyl)-(2-nitrophenyl)methanone
SMILESCC(N)=O.O=C(c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H8ClNO3.C2H5NO/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15(17)18;1-2(3)4/h1-8H;1H3,(H2,3,4)
InChIKeyUQEYCZBVMGPCJT-UHFFFAOYSA-N
MW320.73 g/mol
LogP2.97
Rot. Bonds3

About acetamide;(4-chlorophenyl)-(2-nitrophenyl)methanone

acetamide;(4-chlorophenyl)-(2-nitrophenyl)methanone (PubChem CID 70358542) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is acetamide;(4-chlorophenyl)-(2-nitrophenyl)methanone.

Molecular Properties

Compound Nameacetamide;(4-chlorophenyl)-(2-nitrophenyl)methanone
PubChem CID70358542
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Nameacetamide;(4-chlorophenyl)-(2-nitrophenyl)methanone
SMILESCC(N)=O.O=C(c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H8ClNO3.C2H5NO/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15(17)18;1-2(3)4/h1-8H;1H3,(H2,3,4)
InChIKeyUQEYCZBVMGPCJT-UHFFFAOYSA-N
XLogP2.97
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 172806545
azane;carbamic acid;(2-nitrophenyl)-phenylmethanone
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CID 174621334
(2-nitrophenyl)-phenylmethanone;propan-1-amine
CID 20502317
2-chloro-4-(2-nitrobenzoyl)benzamide
CID 102462059
[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2-nitrobenzoate
CID 5343195
(2-amino-5-chlorophenyl)-(2-nitrophenyl)methanone
CID 15908933
methanimine;(2-nitrophenyl)-phenylmethanone
CID 174799548
ethyl carbamate;(2-nitrophenyl)-phenylmethanone
CID 162206932
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitrobenzamide
CID 5396796
2-aminoacetic acid;(2-nitrophenyl)-phenylmethanone
CID 174848251
acetonitrile;(2-nitrophenyl)-phenylmethanone
CID 161021421

Frequently Asked Questions

What is the IUPAC name of acetamide;(4-chlorophenyl)-(2-nitrophenyl)methanone?
The IUPAC name of acetamide;(4-chlorophenyl)-(2-nitrophenyl)methanone (CID 70358542) is acetamide;(4-chlorophenyl)-(2-nitrophenyl)methanone.
What is the SMILES notation for acetamide;(4-chlorophenyl)-(2-nitrophenyl)methanone?
The canonical SMILES for acetamide;(4-chlorophenyl)-(2-nitrophenyl)methanone is CC(N)=O.O=C(c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of acetamide;(4-chlorophenyl)-(2-nitrophenyl)methanone?
The InChIKey is UQEYCZBVMGPCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO3.C2H5NO/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15(17)18;1-2(3)4/h1-8H;1H3,(H2,3,4).
What are the key properties of acetamide;(4-chlorophenyl)-(2-nitrophenyl)methanone?
acetamide;(4-chlorophenyl)-(2-nitrophenyl)methanone has a molecular weight of 320.73 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;(4-chlorophenyl)-(2-nitrophenyl)methanone is sourced from PubChem (CID 70358542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).