N-(4-chloro-3-hydroxyphenyl)cyclopent-3-ene-1-carboxamide

C12H12ClNO2 — CID 64788068

IUPACN-(4-chloro-3-hydroxyphenyl)cyclopent-3-ene-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(O)c1)C1CC=CC1
InChIInChI=1S/C12H12ClNO2/c13-10-6-5-9(7-11(10)15)14-12(16)8-3-1-2-4-8/h1-2,5-8,15H,3-4H2,(H,14,16)
InChIKeyAPQVYJWXDSJRPC-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.95
Rot. Bonds2

About N-(4-chloro-3-hydroxyphenyl)cyclopent-3-ene-1-carboxamide

N-(4-chloro-3-hydroxyphenyl)cyclopent-3-ene-1-carboxamide (PubChem CID 64788068) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is N-(4-chloro-3-hydroxyphenyl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-hydroxyphenyl)cyclopent-3-ene-1-carboxamide
PubChem CID64788068
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC NameN-(4-chloro-3-hydroxyphenyl)cyclopent-3-ene-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(O)c1)C1CC=CC1
InChIInChI=1S/C12H12ClNO2/c13-10-6-5-9(7-11(10)15)14-12(16)8-3-1-2-4-8/h1-2,5-8,15H,3-4H2,(H,14,16)
InChIKeyAPQVYJWXDSJRPC-UHFFFAOYSA-N
XLogP2.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-3-hydroxyphenyl)cyclooctanecarboxamide
CID 65023340
N-(4-chloro-3-hydroxyphenyl)prop-2-ynamide
CID 64786729
N-(4-bromo-3-chlorophenyl)cyclohex-3-ene-1-carboxamide
CID 103824527
N-(4-chloro-3-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66394969
N-(4-chloro-3-hydroxyphenyl)piperidine-1-carboxamide
CID 79155981
N-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide
CID 64766677
N-(4-chloro-3-fluorophenyl)cyclopropanecarboxamide
CID 60776243
4-(cyclopent-3-ene-1-carbonylamino)-2-fluorobenzoic acid
CID 103791574
5-(cyclopent-3-ene-1-carbonylamino)-2-fluorobenzoic acid
CID 64766907
N-(4-chloro-3-hydroxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217245
N-(4-chloro-3-hydroxyphenyl)-2-cyclopentylacetamide
CID 64788662
N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
CID 171577227

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-hydroxyphenyl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(4-chloro-3-hydroxyphenyl)cyclopent-3-ene-1-carboxamide (CID 64788068) is N-(4-chloro-3-hydroxyphenyl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(4-chloro-3-hydroxyphenyl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(4-chloro-3-hydroxyphenyl)cyclopent-3-ene-1-carboxamide is O=C(Nc1ccc(Cl)c(O)c1)C1CC=CC1.
What is the InChIKey of N-(4-chloro-3-hydroxyphenyl)cyclopent-3-ene-1-carboxamide?
The InChIKey is APQVYJWXDSJRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c13-10-6-5-9(7-11(10)15)14-12(16)8-3-1-2-4-8/h1-2,5-8,15H,3-4H2,(H,14,16).
What are the key properties of N-(4-chloro-3-hydroxyphenyl)cyclopent-3-ene-1-carboxamide?
N-(4-chloro-3-hydroxyphenyl)cyclopent-3-ene-1-carboxamide has a molecular weight of 237.69 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-hydroxyphenyl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 64788068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).