N-(2-chloro-4,5-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide

C15H18ClNO3 — CID 16602989

IUPACN-(2-chloro-4,5-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)C2CC=CCC2)cc1OC
InChIInChI=1S/C15H18ClNO3/c1-19-13-8-11(16)12(9-14(13)20-2)17-15(18)10-6-4-3-5-7-10/h3-4,8-10H,5-7H2,1-2H3,(H,17,18)
InChIKeyHSDMCPGDZZJSMD-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.65
Rot. Bonds4

About N-(2-chloro-4,5-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide

N-(2-chloro-4,5-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide (PubChem CID 16602989) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-(2-chloro-4,5-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,5-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide
PubChem CID16602989
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC NameN-(2-chloro-4,5-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)C2CC=CCC2)cc1OC
InChIInChI=1S/C15H18ClNO3/c1-19-13-8-11(16)12(9-14(13)20-2)17-15(18)10-6-4-3-5-7-10/h3-4,8-10H,5-7H2,1-2H3,(H,17,18)
InChIKeyHSDMCPGDZZJSMD-UHFFFAOYSA-N
XLogP3.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-N-(2,4-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide
CID 51469355
N-[4-(cyclohex-3-ene-1-carbonylamino)-2,5-dimethylphenyl]cyclohex-3-ene-1-carboxamide
CID 42907468
N-(2-chloro-4,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982206
N-(2-chloro-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 42907796
(1R)-N-(4-chloro-2-methylphenyl)cyclohex-3-ene-1-carboxamide
CID 8780243
N-(2-chloro-4,5-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 43233979
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
N-(4-chloro-2,5-dimethoxyphenyl)thiane-4-carboxamide
CID 110864457
(1R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 8746747
1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 6466145
N-(2-bromo-5-chlorophenyl)cyclohex-3-ene-1-carboxamide
CID 81272331
methyl 4-(cyclohex-3-ene-1-carbonylamino)-3-methylbenzoate
CID 42941653

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(2-chloro-4,5-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide (CID 16602989) is N-(2-chloro-4,5-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4,5-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(2-chloro-4,5-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide is COc1cc(Cl)c(NC(=O)C2CC=CCC2)cc1OC.
What is the InChIKey of N-(2-chloro-4,5-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is HSDMCPGDZZJSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-19-13-8-11(16)12(9-14(13)20-2)17-15(18)10-6-4-3-5-7-10/h3-4,8-10H,5-7H2,1-2H3,(H,17,18).
What are the key properties of N-(2-chloro-4,5-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide?
N-(2-chloro-4,5-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 295.77 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,5-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 16602989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).