2,2-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylcyclopropane-1-carboxamide

C13H13Cl2F2NO3 — CID 46552870

IUPAC2,2-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)CC2(Cl)Cl)cc1OC(F)F
InChIInChI=1S/C13H13Cl2F2NO3/c1-12(6-13(12,14)15)10(19)18-7-3-4-8(20-2)9(5-7)21-11(16)17/h3-5,11H,6H2,1-2H3,(H,18,19)
InChIKeyXDJICFZWSPEWTA-UHFFFAOYSA-N
MW340.15 g/mol
LogP3.82
Rot. Bonds5

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

2,2-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 46552870) has the molecular formula C13H13Cl2F2NO3 and a molecular weight of 340.15 g/mol. Its IUPAC name is 2,2-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylcyclopropane-1-carboxamide
PubChem CID46552870
Molecular FormulaC13H13Cl2F2NO3
Molecular Weight340.15 g/mol
Exact Mass339.02
IUPAC Name2,2-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)CC2(Cl)Cl)cc1OC(F)F
InChIInChI=1S/C13H13Cl2F2NO3/c1-12(6-13(12,14)15)10(19)18-7-3-4-8(20-2)9(5-7)21-11(16)17/h3-5,11H,6H2,1-2H3,(H,18,19)
InChIKeyXDJICFZWSPEWTA-UHFFFAOYSA-N
XLogP3.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.15
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2,2-dichloro-N-(4-ethoxy-3-methoxyphenyl)-1-methylcyclopropane-1-carboxamide
CID 39911745
2,2-dichloro-N-(3,4-diethoxyphenyl)-1-methylcyclopropane-1-carboxamide
CID 43009787
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea
CID 1297847
2-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
CID 43712827
cis-(1R,2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 25465635
cis-(1S,2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 25465638
1-tert-butyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
CID 78842481
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-methylpiperidine-4-carboxamide
CID 63122437
2,2-dichloro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-methylcyclopropane-1-carboxamide
CID 43004633
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 46450594
[2-(3,4-dimethoxyanilino)-2-oxoethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2619183
4-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]benzamide
CID 26636437

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylcyclopropane-1-carboxamide (CID 46552870) is 2,2-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylcyclopropane-1-carboxamide is COc1ccc(NC(=O)C2(C)CC2(Cl)Cl)cc1OC(F)F.
What is the InChIKey of 2,2-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is XDJICFZWSPEWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2F2NO3/c1-12(6-13(12,14)15)10(19)18-7-3-4-8(20-2)9(5-7)21-11(16)17/h3-5,11H,6H2,1-2H3,(H,18,19).
What are the key properties of 2,2-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 340.15 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 46552870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).