1-[(2-chloro-5-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

C11H9ClFNO3 — CID 103552439

IUPAC1-[(2-chloro-5-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2cc(F)ccc2Cl)CC1
InChIInChI=1S/C11H9ClFNO3/c12-7-2-1-6(13)5-8(7)14-9(15)11(3-4-11)10(16)17/h1-2,5H,3-4H2,(H,14,15)(H,16,17)
InChIKeyZJNCVKSQOTZNDI-UHFFFAOYSA-N
MW257.65 g/mol
LogP2.28
Rot. Bonds3

About 1-[(2-chloro-5-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

1-[(2-chloro-5-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 103552439) has the molecular formula C11H9ClFNO3 and a molecular weight of 257.65 g/mol. Its IUPAC name is 1-[(2-chloro-5-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-chloro-5-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID103552439
Molecular FormulaC11H9ClFNO3
Molecular Weight257.65 g/mol
Exact Mass257.03
IUPAC Name1-[(2-chloro-5-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2cc(F)ccc2Cl)CC1
InChIInChI=1S/C11H9ClFNO3/c12-7-2-1-6(13)5-8(7)14-9(15)11(3-4-11)10(16)17/h1-2,5H,3-4H2,(H,14,15)(H,16,17)
InChIKeyZJNCVKSQOTZNDI-UHFFFAOYSA-N
XLogP2.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.65
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-5-fluorophenyl)-1-[(E)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 107530743
1-[(2-bromo-4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095716
1-N,1-N'-bis(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 155683538
N-(2-chloro-5-fluorophenyl)-1-cyanocycloheptane-1-carboxamide
CID 107528618
1-[(4-fluoro-2-iodophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 79766775
N-(2-chloro-5-fluorophenyl)acetamide
CID 102458235
4-[(2,4-difluorophenyl)carbamoyl]oxane-4-carboxylic acid
CID 154865208
N-(2-chloro-5-fluorophenyl)-2-methylpiperidine-2-carboxamide
CID 107528549
1-[(5-chloro-2-fluoro-4-hydroxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 154871885
N-(2-chloro-5-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107528499
1-[(2-chloro-5-fluorophenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 107530206
1-N'-(4-chloro-3-propan-2-ylphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 170149362

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(2-chloro-5-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 103552439) is 1-[(2-chloro-5-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-chloro-5-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(2-chloro-5-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1(C(=O)Nc2cc(F)ccc2Cl)CC1.
What is the InChIKey of 1-[(2-chloro-5-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is ZJNCVKSQOTZNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO3/c12-7-2-1-6(13)5-8(7)14-9(15)11(3-4-11)10(16)17/h1-2,5H,3-4H2,(H,14,15)(H,16,17).
What are the key properties of 1-[(2-chloro-5-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[(2-chloro-5-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 257.65 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 103552439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).