trans-(1S,2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide

C16H15F2NO3 — CID 95297314

IUPACtrans-(1S,2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESCc1cccc(OC(F)F)c1NC(=O)[C@H]1C[C@@H]1c1ccco1
InChIInChI=1S/C16H15F2NO3/c1-9-4-2-5-13(22-16(17)18)14(9)19-15(20)11-8-10(11)12-6-3-7-21-12/h2-7,10-11,16H,8H2,1H3,(H,19,20)/t10-,11-/m0/s1
InChIKeySSSPYEMBAQXZNJ-QWRGUYRKSA-N
MW307.30 g/mol
LogP3.93
Rot. Bonds5

About trans-(1S,2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide (PubChem CID 95297314) has the molecular formula C16H15F2NO3 and a molecular weight of 307.30 g/mol. Its IUPAC name is trans-(1S,2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
PubChem CID95297314
Molecular FormulaC16H15F2NO3
Molecular Weight307.30 g/mol
Exact Mass307.10
IUPAC Nametrans-(1S,2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESCc1cccc(OC(F)F)c1NC(=O)[C@H]1C[C@@H]1c1ccco1
InChIInChI=1S/C16H15F2NO3/c1-9-4-2-5-13(22-16(17)18)14(9)19-15(20)11-8-10(11)12-6-3-7-21-12/h2-7,10-11,16H,8H2,1H3,(H,19,20)/t10-,11-/m0/s1
InChIKeySSSPYEMBAQXZNJ-QWRGUYRKSA-N
XLogP3.93
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(difluoromethoxy)-6-methylphenyl]cyclopentane-1-carboxamide
CID 119764632
2-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]-6-methylbenzamide
CID 86851867
(3R,4S)-N-[2-(difluoromethoxy)-6-methylphenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120929751
N-(4-chloro-2-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47449751
ethyl N-[4-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]phenyl]carbamate
CID 86851812
N-[2-(difluoromethoxy)-6-methylphenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 51105567
(2S)-2-amino-N-[2-(difluoromethoxy)-6-methylphenyl]propanamide;hydrochloride
CID 119312538
N-(3-acetamido-4-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86851825
N-(2,5-dimethylpyrazol-3-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47449977
N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 75405611
N-[2-(dimethylamino)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47449970
N-(4-ethoxy-3-fluorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86851939

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide (CID 95297314) is trans-(1S,2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide is Cc1cccc(OC(F)F)c1NC(=O)[C@H]1C[C@@H]1c1ccco1.
What is the InChIKey of trans-(1S,2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is SSSPYEMBAQXZNJ-QWRGUYRKSA-N. The full InChI is InChI=1S/C16H15F2NO3/c1-9-4-2-5-13(22-16(17)18)14(9)19-15(20)11-8-10(11)12-6-3-7-21-12/h2-7,10-11,16H,8H2,1H3,(H,19,20)/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 307.30 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95297314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).