4-[(5-chloro-2-methoxyphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid

C14H15ClN2O4 — CID 79191795

IUPAC4-[(5-chloro-2-methoxyphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCOc1ccc(Cl)cc1NC(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C14H15ClN2O4/c1-21-12-5-3-9(15)7-11(12)17-14(20)16-10-4-2-8(6-10)13(18)19/h2-5,7-8,10H,6H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyTVGRLFSKTNWPPP-UHFFFAOYSA-N
MW310.74 g/mol
LogP2.50
Rot. Bonds4

About 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid

4-[(5-chloro-2-methoxyphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79191795) has the molecular formula C14H15ClN2O4 and a molecular weight of 310.74 g/mol. Its IUPAC name is 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-chloro-2-methoxyphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79191795
Molecular FormulaC14H15ClN2O4
Molecular Weight310.74 g/mol
Exact Mass310.07
IUPAC Name4-[(5-chloro-2-methoxyphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCOc1ccc(Cl)cc1NC(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C14H15ClN2O4/c1-21-12-5-3-9(15)7-11(12)17-14(20)16-10-4-2-8(6-10)13(18)19/h2-5,7-8,10H,6H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyTVGRLFSKTNWPPP-UHFFFAOYSA-N
XLogP2.50
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
CID 108875500
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 111631319
6-[(5-chloro-2-methoxyphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 6469206
N'-(5-chloro-2-methoxyphenyl)-N-cyclopropyloxamide
CID 2194402
3-(5-chloro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550581
1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673
1-(5-chloro-2-methoxyphenyl)-3-prop-1-en-2-ylurea
CID 108910159
1-[1-(1-adamantyl)ethyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 108875476
4-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-cyclopentylbenzamide
CID 17180685
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
CID 108875604
1-(5-chloro-2-methoxyphenyl)-3-[(4-hydroxybenzoyl)amino]urea
CID 4157559

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid (CID 79191795) is 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid is COc1ccc(Cl)cc1NC(=O)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is TVGRLFSKTNWPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4/c1-21-12-5-3-9(15)7-11(12)17-14(20)16-10-4-2-8(6-10)13(18)19/h2-5,7-8,10H,6H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
4-[(5-chloro-2-methoxyphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 310.74 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-methoxyphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79191795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).