cis-(1R,2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide

C13H15F2NO3 — CID 25465635

IUPACcis-(1R,2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1OC(F)F
InChIInChI=1S/C13H15F2NO3/c1-7-5-9(7)12(17)16-8-3-4-10(18-2)11(6-8)19-13(14)15/h3-4,6-7,9,13H,5H2,1-2H3,(H,16,17)/t7-,9+/m0/s1
InChIKeyFZWVBNSEOJHGJE-IONNQARKSA-N
MW271.26 g/mol
LogP2.89
Rot. Bonds5

About cis-(1R,2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 25465635) has the molecular formula C13H15F2NO3 and a molecular weight of 271.26 g/mol. Its IUPAC name is cis-(1R,2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID25465635
Molecular FormulaC13H15F2NO3
Molecular Weight271.26 g/mol
Exact Mass271.10
IUPAC Namecis-(1R,2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1OC(F)F
InChIInChI=1S/C13H15F2NO3/c1-7-5-9(7)12(17)16-8-3-4-10(18-2)11(6-8)19-13(14)15/h3-4,6-7,9,13H,5H2,1-2H3,(H,16,17)/t7-,9+/m0/s1
InChIKeyFZWVBNSEOJHGJE-IONNQARKSA-N
XLogP2.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 25465638
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46438663
N-[3-(difluoromethoxy)-4-methoxyphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42941162
3-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
CID 66009363
(2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
CID 103794468
2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60792514
2-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
CID 43712827
2-[[4-chloro-3-(difluoromethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120977324
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 47009227
1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
CID 134039305
N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 18280720
1-tert-butyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
CID 78842481

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide (CID 25465635) is cis-(1R,2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide is COc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1OC(F)F.
What is the InChIKey of cis-(1R,2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is FZWVBNSEOJHGJE-IONNQARKSA-N. The full InChI is InChI=1S/C13H15F2NO3/c1-7-5-9(7)12(17)16-8-3-4-10(18-2)11(6-8)19-13(14)15/h3-4,6-7,9,13H,5H2,1-2H3,(H,16,17)/t7-,9+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 271.26 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 25465635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).