6-[(5-chloro-2-methoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate

C15H15ClNO4- — CID 4744696

IUPAC6-[(5-chloro-2-methoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
SMILESCOc1ccc(Cl)cc1NC(=O)C1CC=CCC1C(=O)[O-]
InChIInChI=1S/C15H16ClNO4/c1-21-13-7-6-9(16)8-12(13)17-14(18)10-4-2-3-5-11(10)15(19)20/h2-3,6-8,10-11H,4-5H2,1H3,(H,17,18)(H,19,20)/p-1
InChIKeyAVKSDUWCHYEFDI-UHFFFAOYSA-M
MW308.74 g/mol
LogP1.62
Rot. Bonds4

About 6-[(5-chloro-2-methoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate

6-[(5-chloro-2-methoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate (PubChem CID 4744696) has the molecular formula C15H15ClNO4- and a molecular weight of 308.74 g/mol. Its IUPAC name is 6-[(5-chloro-2-methoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Name6-[(5-chloro-2-methoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
PubChem CID4744696
Molecular FormulaC15H15ClNO4-
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name6-[(5-chloro-2-methoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
SMILESCOc1ccc(Cl)cc1NC(=O)C1CC=CCC1C(=O)[O-]
InChIInChI=1S/C15H16ClNO4/c1-21-13-7-6-9(16)8-12(13)17-14(18)10-4-2-3-5-11(10)15(19)20/h2-3,6-8,10-11H,4-5H2,1H3,(H,17,18)(H,19,20)/p-1
InChIKeyAVKSDUWCHYEFDI-UHFFFAOYSA-M
XLogP1.62
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[(5-chloro-2-methoxyphenyl)carbamoyl]cyclohex-3-ene-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

(1R,6R)-6-[(2,5-dichlorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6944635
6-[(5-chloro-2-methoxyphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 6469206
(1R,6R)-6-[(3-hydroxy-4-methoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 8893564
2-(5-chloro-2-methoxyanilino)-2-oxoacetate
CID 2300901
2-N-(5-chloro-2-methoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142425
1-N-(5-chloro-2-methoxyphenyl)-2-N-(2,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141518
6-[[4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 22785670
1-N-(5-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143056
(1S,6R)-4-chloro-6-[(2-methoxy-5-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 7428479
(1S,6S)-6-[(2-chlorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 7058222
1-N-(5-chloro-2-methoxyphenyl)-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142084
cis-(1R,2S)-2-benzyl-N-(5-chloro-2-methoxyphenyl)cyclopropane-1-carboxamide
CID 158550362

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2-methoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate?
The IUPAC name of 6-[(5-chloro-2-methoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate (CID 4744696) is 6-[(5-chloro-2-methoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for 6-[(5-chloro-2-methoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate?
The canonical SMILES for 6-[(5-chloro-2-methoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate is COc1ccc(Cl)cc1NC(=O)C1CC=CCC1C(=O)[O-].
What is the InChIKey of 6-[(5-chloro-2-methoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate?
The InChIKey is AVKSDUWCHYEFDI-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H16ClNO4/c1-21-13-7-6-9(16)8-12(13)17-14(18)10-4-2-3-5-11(10)15(19)20/h2-3,6-8,10-11H,4-5H2,1H3,(H,17,18)(H,19,20)/p-1.
What are the key properties of 6-[(5-chloro-2-methoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate?
6-[(5-chloro-2-methoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate has a molecular weight of 308.74 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-2-methoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 4744696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).