1-[(4-chloro-2-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride

C11H8Cl2FNO2 — CID 87344821

IUPAC1-[(4-chloro-2-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride
SMILESO=C(Cl)C1(C(=O)Nc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C11H8Cl2FNO2/c12-6-1-2-8(7(14)5-6)15-10(17)11(3-4-11)9(13)16/h1-2,5H,3-4H2,(H,15,17)
InChIKeyAWQFSNIFBAOMIQ-UHFFFAOYSA-N
MW276.09 g/mol
LogP2.96
Rot. Bonds3

About 1-[(4-chloro-2-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride

1-[(4-chloro-2-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride (PubChem CID 87344821) has the molecular formula C11H8Cl2FNO2 and a molecular weight of 276.09 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride
PubChem CID87344821
Molecular FormulaC11H8Cl2FNO2
Molecular Weight276.09 g/mol
Exact Mass274.99
IUPAC Name1-[(4-chloro-2-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride
SMILESO=C(Cl)C1(C(=O)Nc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C11H8Cl2FNO2/c12-6-1-2-8(7(14)5-6)15-10(17)11(3-4-11)9(13)16/h1-2,5H,3-4H2,(H,15,17)
InChIKeyAWQFSNIFBAOMIQ-UHFFFAOYSA-N
XLogP2.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-carbamothioyl-N-(4-chloro-2-fluorophenyl)cyclobutane-1-carboxamide
CID 80589467
1-(aminomethyl)-N-(4-chloro-2-fluorophenyl)cyclopropane-1-carboxamide
CID 115452488
N-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 134002638
N-(4-chloro-2-fluorophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
CID 3487315
N-(4-chloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 63121680
1-N,1-N'-bis(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 155683538
1-N'-(2,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 175093639
1-N'-(4-chloro-2-methylphenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982777
N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride
CID 142696618
1-N-(4-chloro-2-methylphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982681
N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide
CID 30430307
N-(4-chloro-2-fluorophenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111432127

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride (CID 87344821) is 1-[(4-chloro-2-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride is O=C(Cl)C1(C(=O)Nc2ccc(Cl)cc2F)CC1.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride?
The InChIKey is AWQFSNIFBAOMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2FNO2/c12-6-1-2-8(7(14)5-6)15-10(17)11(3-4-11)9(13)16/h1-2,5H,3-4H2,(H,15,17).
What are the key properties of 1-[(4-chloro-2-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride?
1-[(4-chloro-2-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride has a molecular weight of 276.09 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride is sourced from PubChem (CID 87344821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).