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

C16H20ClN3O5 — CID 7866088

IUPAC2-(2-chloro-4-nitrophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C16H20ClN3O5/c1-10-4-2-3-5-13(10)18-16(22)19-15(21)9-25-14-7-6-11(20(23)24)8-12(14)17/h6-8,10,13H,2-5,9H2,1H3,(H2,18,19,21,22)/t10-,13-/m0/s1
InChIKeyBXBRBIZGDFWGDQ-GWCFXTLKSA-N
MW369.81 g/mol
LogP3.03
Rot. Bonds5

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

2-(2-chloro-4-nitrophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide (PubChem CID 7866088) has the molecular formula C16H20ClN3O5 and a molecular weight of 369.81 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
PubChem CID7866088
Molecular FormulaC16H20ClN3O5
Molecular Weight369.81 g/mol
Exact Mass369.11
IUPAC Name2-(2-chloro-4-nitrophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C16H20ClN3O5/c1-10-4-2-3-5-13(10)18-16(22)19-15(21)9-25-14-7-6-11(20(23)24)8-12(14)17/h6-8,10,13H,2-5,9H2,1H3,(H2,18,19,21,22)/t10-,13-/m0/s1
InChIKeyBXBRBIZGDFWGDQ-GWCFXTLKSA-N
XLogP3.03
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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]acetamide
CID 7865889
2-(2-methoxy-5-nitrophenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7931983
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-chloro-5-methylphenoxy)-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 46786987
2-(2-chloro-4-nitrophenoxy)-N-(propan-2-ylcarbamoyl)acetamide
CID 4216081
[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 3-nitrobenzoate
CID 7775213
N-(2-methylcyclohexyl)-2-(3-nitrophenoxy)acetamide
CID 18077039
2-(2-chloro-4-nitrophenoxy)-N-(2-methylpropylcarbamoyl)acetamide
CID 7509223
2-(5-chloroquinolin-8-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 8716448
2-(2-formyl-4-methoxyphenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 8634198

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide (CID 7866088) is 2-(2-chloro-4-nitrophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide is C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
The InChIKey is BXBRBIZGDFWGDQ-GWCFXTLKSA-N. The full InChI is InChI=1S/C16H20ClN3O5/c1-10-4-2-3-5-13(10)18-16(22)19-15(21)9-25-14-7-6-11(20(23)24)8-12(14)17/h6-8,10,13H,2-5,9H2,1H3,(H2,18,19,21,22)/t10-,13-/m0/s1.
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
2-(2-chloro-4-nitrophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide has a molecular weight of 369.81 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitrophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide is sourced from PubChem (CID 7866088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).