2-(2-chloro-4-nitrophenoxy)-N-[(1S,2S)-2-methylcyclohexyl]acetamide

C15H19ClN2O4 — CID 7865889

IUPAC2-(2-chloro-4-nitrophenoxy)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C15H19ClN2O4/c1-10-4-2-3-5-13(10)17-15(19)9-22-14-7-6-11(18(20)21)8-12(14)16/h6-8,10,13H,2-5,9H2,1H3,(H,17,19)/t10-,13-/m0/s1
InChIKeyAEHOOVJYLWPHBH-GWCFXTLKSA-N
MW326.78 g/mol
LogP3.32
Rot. Bonds5

About 2-(2-chloro-4-nitrophenoxy)-N-[(1S,2S)-2-methylcyclohexyl]acetamide

2-(2-chloro-4-nitrophenoxy)-N-[(1S,2S)-2-methylcyclohexyl]acetamide (PubChem CID 7865889) has the molecular formula C15H19ClN2O4 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-N-[(1S,2S)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
PubChem CID7865889
Molecular FormulaC15H19ClN2O4
Molecular Weight326.78 g/mol
Exact Mass326.10
IUPAC Name2-(2-chloro-4-nitrophenoxy)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C15H19ClN2O4/c1-10-4-2-3-5-13(10)17-15(19)9-22-14-7-6-11(18(20)21)8-12(14)16/h6-8,10,13H,2-5,9H2,1H3,(H,17,19)/t10-,13-/m0/s1
InChIKeyAEHOOVJYLWPHBH-GWCFXTLKSA-N
XLogP3.32
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 ≤ 53.32
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

2-(2-chloro-4-nitrophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7865886
2-(2-chloro-4-nitrophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7866088
2-(2-chloro-4-nitrophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11907226
2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide
CID 4314611
2-(2-methoxy-5-nitrophenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7931983
N-(2-methylcyclohexyl)-2-(3-nitrophenoxy)acetamide
CID 18077039
N-[(1S,2S)-2-methylcyclohexyl]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8561598
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-formyl-4-nitrophenoxy)acetamide
CID 11925852
N-cyclohexyl-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931962
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-cyclopropylethyl]acetamide
CID 8587870
N-(2-methylcyclohexyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 4578815
2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide
CID 18074297

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-[(1S,2S)-2-methylcyclohexyl]acetamide (CID 7865889) is 2-(2-chloro-4-nitrophenoxy)-N-[(1S,2S)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-N-[(1S,2S)-2-methylcyclohexyl]acetamide is C[C@H]1CCCC[C@@H]1NC(=O)COc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
The InChIKey is AEHOOVJYLWPHBH-GWCFXTLKSA-N. The full InChI is InChI=1S/C15H19ClN2O4/c1-10-4-2-3-5-13(10)17-15(19)9-22-14-7-6-11(18(20)21)8-12(14)16/h6-8,10,13H,2-5,9H2,1H3,(H,17,19)/t10-,13-/m0/s1.
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
2-(2-chloro-4-nitrophenoxy)-N-[(1S,2S)-2-methylcyclohexyl]acetamide has a molecular weight of 326.78 g/mol, XLogP of 3.32, 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-[(1S,2S)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 7865889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).