2-chloro-N-(4-nitrophenyl)-N-phenylacetamide

C14H11ClN2O3 — CID 10979160

IUPAC2-chloro-N-(4-nitrophenyl)-N-phenylacetamide
SMILESO=C(CCl)N(c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11ClN2O3/c15-10-14(18)16(11-4-2-1-3-5-11)12-6-8-13(9-7-12)17(19)20/h1-9H,10H2
InChIKeyOQCWPCSYAVQHNS-UHFFFAOYSA-N
MW290.71 g/mol
LogP3.50
Rot. Bonds4

About 2-chloro-N-(4-nitrophenyl)-N-phenylacetamide

2-chloro-N-(4-nitrophenyl)-N-phenylacetamide (PubChem CID 10979160) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 2-chloro-N-(4-nitrophenyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-(4-nitrophenyl)-N-phenylacetamide
PubChem CID10979160
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name2-chloro-N-(4-nitrophenyl)-N-phenylacetamide
SMILESO=C(CCl)N(c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11ClN2O3/c15-10-14(18)16(11-4-2-1-3-5-11)12-6-8-13(9-7-12)17(19)20/h1-9H,10H2
InChIKeyOQCWPCSYAVQHNS-UHFFFAOYSA-N
XLogP3.50
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-chloro-N-[4-(dimethylamino)phenyl]-N-phenylacetamide
CID 70059360
bis(4-nitrophenyl)carbamic acid
CID 20515803
sodium;2-chloroacetate;1,4-dinitrobenzene
CID 88733321
N-methyl-4-nitro-N-phenylaniline
CID 11287619
2-chloro-1-(4-nitrophenyl)-1-phenylhydrazine
CID 88837156
5-chloro-N-methyl-N-(4-nitrophenyl)pentanamide
CID 28971596
7-(N-(4-nitrophenyl)anilino)heptan-1-ol
CID 15706930
carbonic acid;nitrobenzene
CID 68662598
carbonic acid;nitrobenzene
CID 158100196
2-chloro-N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-(2,6-dichlorophenyl)acetamide
CID 169436235
methyl 2-(N-(4-nitrophenyl)anilino)acetate
CID 54362794
3-chloro-N,N-diphenylpropanamide
CID 3331408

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-nitrophenyl)-N-phenylacetamide?
The IUPAC name of 2-chloro-N-(4-nitrophenyl)-N-phenylacetamide (CID 10979160) is 2-chloro-N-(4-nitrophenyl)-N-phenylacetamide.
What is the SMILES notation for 2-chloro-N-(4-nitrophenyl)-N-phenylacetamide?
The canonical SMILES for 2-chloro-N-(4-nitrophenyl)-N-phenylacetamide is O=C(CCl)N(c1ccccc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-chloro-N-(4-nitrophenyl)-N-phenylacetamide?
The InChIKey is OQCWPCSYAVQHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-10-14(18)16(11-4-2-1-3-5-11)12-6-8-13(9-7-12)17(19)20/h1-9H,10H2.
What are the key properties of 2-chloro-N-(4-nitrophenyl)-N-phenylacetamide?
2-chloro-N-(4-nitrophenyl)-N-phenylacetamide has a molecular weight of 290.71 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-nitrophenyl)-N-phenylacetamide is sourced from PubChem (CID 10979160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).