methyl 1-[[2-chloro-2-(4-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylate

C16H20ClNO4 — CID 22327445

IUPACmethyl 1-[[2-chloro-2-(4-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)C(Cl)c2ccc(OC)cc2)CCCC1
InChIInChI=1S/C16H20ClNO4/c1-21-12-7-5-11(6-8-12)13(17)14(19)18-16(15(20)22-2)9-3-4-10-16/h5-8,13H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyIUFJSANAUYKVTE-UHFFFAOYSA-N
MW325.79 g/mol
LogP2.58
Rot. Bonds5

About methyl 1-[[2-chloro-2-(4-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylate

methyl 1-[[2-chloro-2-(4-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylate (PubChem CID 22327445) has the molecular formula C16H20ClNO4 and a molecular weight of 325.79 g/mol. Its IUPAC name is methyl 1-[[2-chloro-2-(4-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2-chloro-2-(4-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylate
PubChem CID22327445
Molecular FormulaC16H20ClNO4
Molecular Weight325.79 g/mol
Exact Mass325.11
IUPAC Namemethyl 1-[[2-chloro-2-(4-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)C(Cl)c2ccc(OC)cc2)CCCC1
InChIInChI=1S/C16H20ClNO4/c1-21-12-7-5-11(6-8-12)13(17)14(19)18-16(15(20)22-2)9-3-4-10-16/h5-8,13H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyIUFJSANAUYKVTE-UHFFFAOYSA-N
XLogP2.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze methyl 1-[[2-chloro-2-(4-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylate 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

methyl 1-[2-(4-methoxyphenoxy)propanoylamino]cyclohexane-1-carboxylate
CID 46515245
1-[[2-chloro-2-(4-methoxyphenyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 22327448
1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]cyclopentane-1-carboxylic acid
CID 118779854
1-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid
CID 120684629
methyl 1-[2-(4-methoxy-2-methylphenyl)propanoylamino]cyclohexane-1-carboxylate
CID 22111960
methyl 1-(4-methoxyanilino)cyclohexane-1-carboxylate
CID 54890159
methyl 1-[2-(4-tert-butylphenoxy)propanoylamino]cyclopentane-1-carboxylate
CID 55572088
2-chloro-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide
CID 82110533
1-[[2-chloro-2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 22327477
(1S)-1-chloro-1-(4-methoxyphenyl)propan-2-one
CID 86318456
methyl 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 22907072
methyl 1-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]cyclooctane-1-carboxylate
CID 54486368

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2-chloro-2-(4-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[[2-chloro-2-(4-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylate (CID 22327445) is methyl 1-[[2-chloro-2-(4-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[[2-chloro-2-(4-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[[2-chloro-2-(4-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylate is COC(=O)C1(NC(=O)C(Cl)c2ccc(OC)cc2)CCCC1.
What is the InChIKey of methyl 1-[[2-chloro-2-(4-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylate?
The InChIKey is IUFJSANAUYKVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO4/c1-21-12-7-5-11(6-8-12)13(17)14(19)18-16(15(20)22-2)9-3-4-10-16/h5-8,13H,3-4,9-10H2,1-2H3,(H,18,19).
What are the key properties of methyl 1-[[2-chloro-2-(4-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylate?
methyl 1-[[2-chloro-2-(4-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylate has a molecular weight of 325.79 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2-chloro-2-(4-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 22327445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).