N-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide

C12H13F2NO2 — CID 56790840

IUPACN-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1OC(F)F
InChIInChI=1S/C12H13F2NO2/c1-7-2-5-9(6-10(7)17-12(13)14)15-11(16)8-3-4-8/h2,5-6,8,12H,3-4H2,1H3,(H,15,16)
InChIKeyGXXAGGZFBUNTOP-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.94
Rot. Bonds4

About N-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide

N-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide (PubChem CID 56790840) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide
PubChem CID56790840
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC NameN-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1OC(F)F
InChIInChI=1S/C12H13F2NO2/c1-7-2-5-9(6-10(7)17-12(13)14)15-11(16)8-3-4-8/h2,5-6,8,12H,3-4H2,1H3,(H,15,16)
InChIKeyGXXAGGZFBUNTOP-UHFFFAOYSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(difluoromethoxy)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119786762
4-[3-(difluoromethoxy)-4-methylanilino]cyclohexane-1-carboxylic acid
CID 122029563
N-[3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55897431
N-[3-(difluoromethoxy)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119325408
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]piperidine-4-carboxamide
CID 119314646
3-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
CID 66009363
N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-4-carboxamide
CID 60927755
N-[3-[3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoylamino]-4-methylphenyl]cyclopropanecarboxamide
CID 55711543
N-[3-(difluoromethoxy)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119786758
N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 18280720
4-amino-N-[3-(difluoromethoxy)-4-methylphenyl]butanamide
CID 119325432
4-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782954

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide (CID 56790840) is N-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide is Cc1ccc(NC(=O)C2CC2)cc1OC(F)F.
What is the InChIKey of N-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide?
The InChIKey is GXXAGGZFBUNTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-7-2-5-9(6-10(7)17-12(13)14)15-11(16)8-3-4-8/h2,5-6,8,12H,3-4H2,1H3,(H,15,16).
What are the key properties of N-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide?
N-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide has a molecular weight of 241.24 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 56790840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).