methyl 2-[(2-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylate

C14H17ClN2O3 — CID 71972988

IUPACmethyl 2-[(2-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H17ClN2O3/c1-20-13(18)9-5-4-8-11(9)16-14(19)17-12-7-3-2-6-10(12)15/h2-3,6-7,9,11H,4-5,8H2,1H3,(H2,16,17,19)
InChIKeyZEDBEEZMQYXJEN-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.80
Rot. Bonds3

About methyl 2-[(2-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylate

methyl 2-[(2-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylate (PubChem CID 71972988) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is methyl 2-[(2-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylate
PubChem CID71972988
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Namemethyl 2-[(2-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H17ClN2O3/c1-20-13(18)9-5-4-8-11(9)16-14(19)17-12-7-3-2-6-10(12)15/h2-3,6-7,9,11H,4-5,8H2,1H3,(H2,16,17,19)
InChIKeyZEDBEEZMQYXJEN-UHFFFAOYSA-N
XLogP2.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(2-chlorophenyl)carbamoylamino]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

trans-methyl (1S,2S)-2-[[2-(ethoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylate
CID 96536767
methyl 2-[(2-methoxy-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylate
CID 71857049
1-(2-aminocyclopentyl)-3-(2-methoxyphenyl)urea
CID 63251747
cis-methyl (1R,2S)-2-[(3-ethoxyphenyl)carbamoylamino]cyclopentane-1-carboxylate
CID 96536759
cis-methyl (1R,2S)-2-[[2-(2-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 97028755
methyl 2-(benzylamino)cyclohexane-1-carboxylate
CID 171324800
1-[(3R,4S)-4-chloro-1,1-dioxothiolan-3-yl]-3-(2-chlorophenyl)urea
CID 129375199
1-(2-aminocycloheptyl)-3-(2-methoxyphenyl)urea
CID 63258521
2-[[2-(2-chlorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64812051
4-chloro-3-[(2-methoxycyclopentyl)carbamoylamino]benzoic acid
CID 62088259
1-(2-chlorophenyl)-3-[(3R)-piperidin-3-yl]urea
CID 113436699
1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 40636375

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[(2-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylate (CID 71972988) is methyl 2-[(2-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[(2-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[(2-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylate is COC(=O)C1CCCC1NC(=O)Nc1ccccc1Cl.
What is the InChIKey of methyl 2-[(2-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylate?
The InChIKey is ZEDBEEZMQYXJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-20-13(18)9-5-4-8-11(9)16-14(19)17-12-7-3-2-6-10(12)15/h2-3,6-7,9,11H,4-5,8H2,1H3,(H2,16,17,19).
What are the key properties of methyl 2-[(2-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylate?
methyl 2-[(2-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylate has a molecular weight of 296.75 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylate is sourced from PubChem (CID 71972988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).