N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide

C13H15ClFNO — CID 56789792

IUPACN-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCc1ccc(F)cc1Cl
InChIInChI=1S/C13H15ClFNO/c1-8-6-11(8)13(17)16-5-4-9-2-3-10(15)7-12(9)14/h2-3,7-8,11H,4-6H2,1H3,(H,16,17)
InChIKeyGELDWJLUKQXVMC-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.79
Rot. Bonds4

About N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide

N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 56789792) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
PubChem CID56789792
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC NameN-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCc1ccc(F)cc1Cl
InChIInChI=1S/C13H15ClFNO/c1-8-6-11(8)13(17)16-5-4-9-2-3-10(15)7-12(9)14/h2-3,7-8,11H,4-6H2,1H3,(H,16,17)
InChIKeyGELDWJLUKQXVMC-UHFFFAOYSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2R)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 95625878
trans-(1S,2S)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 95625877
(2R,4S)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-4-fluoropyrrolidine-2-carboxamide;hydrochloride
CID 154800968
(2S,4S)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 128983915
2-[2-(2,4-difluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115165431
2-[2-(4-fluoro-2-methylphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978975
N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 71919055
cis-(1R,2S)-N-[2-(2-bromophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 95287116
N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-(methanesulfonamido)-2-methylpropanamide
CID 71929526
2-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131098
1-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111578068
N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 102777056

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide (CID 56789792) is N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)NCCc1ccc(F)cc1Cl.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is GELDWJLUKQXVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c1-8-6-11(8)13(17)16-5-4-9-2-3-10(15)7-12(9)14/h2-3,7-8,11H,4-6H2,1H3,(H,16,17).
What are the key properties of N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide?
N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 255.72 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 56789792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).