1-(2,6-dichloro-3-fluorophenyl)cyclopropane-1-carboxamide

C10H8Cl2FNO — CID 141447851

IUPAC1-(2,6-dichloro-3-fluorophenyl)cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2c(Cl)ccc(F)c2Cl)CC1
InChIInChI=1S/C10H8Cl2FNO/c11-5-1-2-6(13)8(12)7(5)10(3-4-10)9(14)15/h1-2H,3-4H2,(H2,14,15)
InChIKeyDMIAOAVMTVXRMZ-UHFFFAOYSA-N
MW248.08 g/mol
LogP2.65
Rot. Bonds2

About 1-(2,6-dichloro-3-fluorophenyl)cyclopropane-1-carboxamide

1-(2,6-dichloro-3-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 141447851) has the molecular formula C10H8Cl2FNO and a molecular weight of 248.08 g/mol. Its IUPAC name is 1-(2,6-dichloro-3-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2,6-dichloro-3-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID141447851
Molecular FormulaC10H8Cl2FNO
Molecular Weight248.08 g/mol
Exact Mass247.00
IUPAC Name1-(2,6-dichloro-3-fluorophenyl)cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2c(Cl)ccc(F)c2Cl)CC1
InChIInChI=1S/C10H8Cl2FNO/c11-5-1-2-6(13)8(12)7(5)10(3-4-10)9(14)15/h1-2H,3-4H2,(H2,14,15)
InChIKeyDMIAOAVMTVXRMZ-UHFFFAOYSA-N
XLogP2.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-3,6-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117337093
1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxamide
CID 89184004
1-(6-chloro-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117363611
1-(2,6-dichlorophenyl)cyclobutan-1-amine;1-(2,6-dichlorophenyl)cyclobutane-1-carboxamide;hydrochloride
CID 159475242
1-[1-(2-chloro-6-fluorophenyl)cyclopropyl]ethanone
CID 82284313
1-(3-fluoro-5-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 171833161
1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxamide
CID 171833079
1-[(2-chloro-6-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 67421202
1-(3-chloro-2-fluorophenyl)cyclobutan-1-amine;1-(3-chloro-2-fluorophenyl)cyclobutane-1-carboxamide;hydrochloride
CID 158493819
1-(2,5-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 83711945
1-(4-chlorophenyl)cyclopropane-1-carbonyl fluoride
CID 20724884
1-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanone
CID 82292861

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-3-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2,6-dichloro-3-fluorophenyl)cyclopropane-1-carboxamide (CID 141447851) is 1-(2,6-dichloro-3-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2,6-dichloro-3-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2,6-dichloro-3-fluorophenyl)cyclopropane-1-carboxamide is NC(=O)C1(c2c(Cl)ccc(F)c2Cl)CC1.
What is the InChIKey of 1-(2,6-dichloro-3-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is DMIAOAVMTVXRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2FNO/c11-5-1-2-6(13)8(12)7(5)10(3-4-10)9(14)15/h1-2H,3-4H2,(H2,14,15).
What are the key properties of 1-(2,6-dichloro-3-fluorophenyl)cyclopropane-1-carboxamide?
1-(2,6-dichloro-3-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 248.08 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-3-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 141447851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).