2-(3-chlorophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide

C16H21ClN2O3 — CID 7818980

IUPAC2-(3-chlorophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C16H21ClN2O3/c1-11-5-2-3-8-14(11)18-16(21)19-15(20)10-22-13-7-4-6-12(17)9-13/h4,6-7,9,11,14H,2-3,5,8,10H2,1H3,(H2,18,19,20,21)/t11-,14-/m0/s1
InChIKeyGYMRXEYOKRPTLH-FZMZJTMJSA-N
MW324.81 g/mol
LogP3.12
Rot. Bonds4

About 2-(3-chlorophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide

2-(3-chlorophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide (PubChem CID 7818980) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
PubChem CID7818980
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name2-(3-chlorophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C16H21ClN2O3/c1-11-5-2-3-8-14(11)18-16(21)19-15(20)10-22-13-7-4-6-12(17)9-13/h4,6-7,9,11,14H,2-3,5,8,10H2,1H3,(H2,18,19,20,21)/t11-,14-/m0/s1
InChIKeyGYMRXEYOKRPTLH-FZMZJTMJSA-N
XLogP3.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-chlorophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide 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-(3-chlorophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2632990
N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769172
[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-phenoxyacetate
CID 11920173
2-(2-chloro-5-methylphenoxy)-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 46786987
2-(4-acetamidophenoxy)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7203614
2-(3-chlorophenoxy)-N-(methylcarbamoyl)acetamide
CID 2707679
1-[[2-(3-chlorophenoxy)acetyl]amino]-3-[(1S,2R,3S)-2,3-dimethylcyclohexyl]thiourea
CID 11945960
N-[(1S,2S)-2-methylcyclohexyl]-2-naphthalen-2-yloxyacetamide
CID 2517702
2-(3,4-difluorophenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7707055
[2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 8604275
N-[(1R,2R)-2-methylcyclohexyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 8024431
2-(3-aminophenoxy)-N-(2-methylcyclopentyl)acetamide
CID 63277444

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide (CID 7818980) is 2-(3-chlorophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide is C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
The InChIKey is GYMRXEYOKRPTLH-FZMZJTMJSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-11-5-2-3-8-14(11)18-16(21)19-15(20)10-22-13-7-4-6-12(17)9-13/h4,6-7,9,11,14H,2-3,5,8,10H2,1H3,(H2,18,19,20,21)/t11-,14-/m0/s1.
What are the key properties of 2-(3-chlorophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
2-(3-chlorophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide has a molecular weight of 324.81 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide is sourced from PubChem (CID 7818980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).