N-[(1R,2S)-2-[2-(difluoromethoxy)phenyl]cyclopropyl]-2-fluoroprop-2-enamide

C13H12F3NO2 — CID 166419773

IUPACN-[(1R,2S)-2-[2-(difluoromethoxy)phenyl]cyclopropyl]-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)N[C@@H]1C[C@H]1c1ccccc1OC(F)F
InChIInChI=1S/C13H12F3NO2/c1-7(14)12(18)17-10-6-9(10)8-4-2-3-5-11(8)19-13(15)16/h2-5,9-10,13H,1,6H2,(H,17,18)/t9-,10+/m0/s1
InChIKeyVDNRUENUAWOJBX-VHSXEESVSA-N
MW271.24 g/mol
LogP2.74
Rot. Bonds5

About N-[(1R,2S)-2-[2-(difluoromethoxy)phenyl]cyclopropyl]-2-fluoroprop-2-enamide

N-[(1R,2S)-2-[2-(difluoromethoxy)phenyl]cyclopropyl]-2-fluoroprop-2-enamide (PubChem CID 166419773) has the molecular formula C13H12F3NO2 and a molecular weight of 271.24 g/mol. Its IUPAC name is N-[(1R,2S)-2-[2-(difluoromethoxy)phenyl]cyclopropyl]-2-fluoroprop-2-enamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-[2-(difluoromethoxy)phenyl]cyclopropyl]-2-fluoroprop-2-enamide
PubChem CID166419773
Molecular FormulaC13H12F3NO2
Molecular Weight271.24 g/mol
Exact Mass271.08
IUPAC NameN-[(1R,2S)-2-[2-(difluoromethoxy)phenyl]cyclopropyl]-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)N[C@@H]1C[C@H]1c1ccccc1OC(F)F
InChIInChI=1S/C13H12F3NO2/c1-7(14)12(18)17-10-6-9(10)8-4-2-3-5-11(8)19-13(15)16/h2-5,9-10,13H,1,6H2,(H,17,18)/t9-,10+/m0/s1
InChIKeyVDNRUENUAWOJBX-VHSXEESVSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(1R,2S)-2-[2-(difluoromethoxy)phenyl]cyclopropyl]-2-fluoroprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine
CID 43150374
2-[2-(difluoromethoxy)phenyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 120947138
N-[[2-[2-(difluoromethoxy)phenyl]cyclopropyl]methyl]propan-2-amine
CID 55209398
trans-methyl (1S,3R)-3-[2-(difluoromethoxy)phenyl]-4-oxocyclopentane-1-carboxylate
CID 94671957
methyl 3-[2-(difluoromethoxy)phenyl]-4-oxocyclopentane-1-carboxylate
CID 50882878
(2R)-2-(2-cyanophenoxy)-N-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]propanamide
CID 100839950
N-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]-N'-(2-methoxy-3-pyridinyl)oxamide
CID 95307616
N-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-N'-(2-methoxy-3-pyridinyl)oxamide
CID 95307617
2-[2-(difluoromethoxy)phenyl]-N-(2-pyridin-4-yloxan-4-yl)cyclopropane-1-carboxamide
CID 166236273
methyl 2-oxo-2-[(2-phenylcyclopropyl)amino]acetate
CID 112617050
N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(4-fluorophenyl)acetamide
CID 166359293
1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]urea
CID 124850518

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[2-(difluoromethoxy)phenyl]cyclopropyl]-2-fluoroprop-2-enamide?
The IUPAC name of N-[(1R,2S)-2-[2-(difluoromethoxy)phenyl]cyclopropyl]-2-fluoroprop-2-enamide (CID 166419773) is N-[(1R,2S)-2-[2-(difluoromethoxy)phenyl]cyclopropyl]-2-fluoroprop-2-enamide.
What is the SMILES notation for N-[(1R,2S)-2-[2-(difluoromethoxy)phenyl]cyclopropyl]-2-fluoroprop-2-enamide?
The canonical SMILES for N-[(1R,2S)-2-[2-(difluoromethoxy)phenyl]cyclopropyl]-2-fluoroprop-2-enamide is C=C(F)C(=O)N[C@@H]1C[C@H]1c1ccccc1OC(F)F.
What is the InChIKey of N-[(1R,2S)-2-[2-(difluoromethoxy)phenyl]cyclopropyl]-2-fluoroprop-2-enamide?
The InChIKey is VDNRUENUAWOJBX-VHSXEESVSA-N. The full InChI is InChI=1S/C13H12F3NO2/c1-7(14)12(18)17-10-6-9(10)8-4-2-3-5-11(8)19-13(15)16/h2-5,9-10,13H,1,6H2,(H,17,18)/t9-,10+/m0/s1.
What are the key properties of N-[(1R,2S)-2-[2-(difluoromethoxy)phenyl]cyclopropyl]-2-fluoroprop-2-enamide?
N-[(1R,2S)-2-[2-(difluoromethoxy)phenyl]cyclopropyl]-2-fluoroprop-2-enamide has a molecular weight of 271.24 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[2-(difluoromethoxy)phenyl]cyclopropyl]-2-fluoroprop-2-enamide is sourced from PubChem (CID 166419773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).