4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]cyclopent-2-ene-1-carboxylic acid

C16H16ClNO3 — CID 79192813

IUPAC4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(O)C1C=CC(NC(=O)C2(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C16H16ClNO3/c17-12-4-2-11(3-5-12)16(7-8-16)15(21)18-13-6-1-10(9-13)14(19)20/h1-6,10,13H,7-9H2,(H,18,21)(H,19,20)
InChIKeyLNUHHIQEXHDGNB-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.52
Rot. Bonds4

About 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]cyclopent-2-ene-1-carboxylic acid

4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79192813) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79192813
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]cyclopent-2-ene-1-carboxylic acid
SMILESO=C(O)C1C=CC(NC(=O)C2(c3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C16H16ClNO3/c17-12-4-2-11(3-5-12)16(7-8-16)15(21)18-13-6-1-10(9-13)14(19)20/h1-6,10,13H,7-9H2,(H,18,21)(H,19,20)
InChIKeyLNUHHIQEXHDGNB-UHFFFAOYSA-N
XLogP2.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.52
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

4-[1-(4-chlorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79193472
4-[(3-chloro-4-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 82875478
4-[(6-chloropyridine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209667
4-(adamantane-1-carbonylamino)cyclopent-2-ene-1-carboxylic acid
CID 79192975
1-(4-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclopropane-1-carboxamide
CID 80711321
4-[(2-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209654
1-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)cyclopropane-1-carboxamide
CID 115881748
1-(4-chlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119450721
benzene;1-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide
CID 143174173
1-(4-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide
CID 115362498
4-[(6-chloropyridine-2-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79208865
1-(4-chlorophenyl)-N-(2-oxooxolan-3-yl)cyclopropane-1-carboxamide
CID 73033106

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]cyclopent-2-ene-1-carboxylic acid (CID 79192813) is 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]cyclopent-2-ene-1-carboxylic acid is O=C(O)C1C=CC(NC(=O)C2(c3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is LNUHHIQEXHDGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c17-12-4-2-11(3-5-12)16(7-8-16)15(21)18-13-6-1-10(9-13)14(19)20/h1-6,10,13H,7-9H2,(H,18,21)(H,19,20).
What are the key properties of 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]cyclopent-2-ene-1-carboxylic acid?
4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 305.76 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79192813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).