2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide

C15H19ClN2O4 — CID 4314611

IUPAC2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1Cl)NC1CCCCCC1
InChIInChI=1S/C15H19ClN2O4/c16-13-9-12(18(20)21)7-8-14(13)22-10-15(19)17-11-5-3-1-2-4-6-11/h7-9,11H,1-6,10H2,(H,17,19)
InChIKeyKICVKMGESWGAAS-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.47
Rot. Bonds5

About 2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide

2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide (PubChem CID 4314611) has the molecular formula C15H19ClN2O4 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide
PubChem CID4314611
Molecular FormulaC15H19ClN2O4
Molecular Weight326.78 g/mol
Exact Mass326.10
IUPAC Name2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1Cl)NC1CCCCCC1
InChIInChI=1S/C15H19ClN2O4/c16-13-9-12(18(20)21)7-8-14(13)22-10-15(19)17-11-5-3-1-2-4-6-11/h7-9,11H,1-6,10H2,(H,17,19)
InChIKeyKICVKMGESWGAAS-UHFFFAOYSA-N
XLogP3.47
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.47
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'}

Analyze 2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloro-4-nitrophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7865886
2-(2-chloro-4-nitrophenoxy)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7865889
N-cyclohexyl-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931962
2-(2-chloro-4-nitrophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11907226
2-(2-chloro-4-nitrophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7866088
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-cyclopropylethyl]acetamide
CID 8587870
2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide
CID 18074297
2-(2-chloro-4-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 4780067
N-cyclopropyl-2-(4-nitro-2-sulfamoylphenoxy)acetamide
CID 82913033
N-cyclopropyl-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7578073
2-(3-chloro-4-nitrophenoxy)-N-cyclohexylacetamide
CID 78977054
2-chloro-N-cycloheptyl-4-nitrobenzamide
CID 732198

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide (CID 4314611) is 2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide is O=C(COc1ccc([N+](=O)[O-])cc1Cl)NC1CCCCCC1.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide?
The InChIKey is KICVKMGESWGAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O4/c16-13-9-12(18(20)21)7-8-14(13)22-10-15(19)17-11-5-3-1-2-4-6-11/h7-9,11H,1-6,10H2,(H,17,19).
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide?
2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide has a molecular weight of 326.78 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide is sourced from PubChem (CID 4314611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).