1-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide

C17H15ClFNO — CID 110438164

IUPAC1-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccccc1F)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H15ClFNO/c18-14-6-3-5-13(10-14)17(8-9-17)16(21)20-11-12-4-1-2-7-15(12)19/h1-7,10H,8-9,11H2,(H,20,21)
InChIKeyXHLBVHYXTVRYMF-UHFFFAOYSA-N
MW303.76 g/mol
LogP3.83
Rot. Bonds4

About 1-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide

1-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 110438164) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide
PubChem CID110438164
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC Name1-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccccc1F)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H15ClFNO/c18-14-6-3-5-13(10-14)17(8-9-17)16(21)20-11-12-4-1-2-7-15(12)19/h1-7,10H,8-9,11H2,(H,20,21)
InChIKeyXHLBVHYXTVRYMF-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 56821672
1-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 110438414
N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110464710
1-(3-chlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carbohydrazide
CID 35694725
N-[(2-fluorophenyl)methyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198405
1-(3-chlorophenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 39410534
1-N'-(2,4-dichlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975759
1-(3-chlorophenyl)-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 78857739
1-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 86981034
bis[1-(3-chlorophenyl)cyclopropyl]methanone
CID 141485401
N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide
CID 46451340
N-[2-(4-aminophenyl)ethyl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119547500

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide (CID 110438164) is 1-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide is O=C(NCc1ccccc1F)C1(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is XHLBVHYXTVRYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c18-14-6-3-5-13(10-14)17(8-9-17)16(21)20-11-12-4-1-2-7-15(12)19/h1-7,10H,8-9,11H2,(H,20,21).
What are the key properties of 1-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide?
1-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 303.76 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 110438164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).