2,2-dichloro-N-[2-(difluoromethoxy)phenyl]-1-methylcyclopropane-1-carboxamide

C12H11Cl2F2NO2 — CID 47135412

IUPAC2,2-dichloro-N-[2-(difluoromethoxy)phenyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2ccccc2OC(F)F)CC1(Cl)Cl
InChIInChI=1S/C12H11Cl2F2NO2/c1-11(6-12(11,13)14)9(18)17-7-4-2-3-5-8(7)19-10(15)16/h2-5,10H,6H2,1H3,(H,17,18)
InChIKeyPTBPNUWZDSAUEX-UHFFFAOYSA-N
MW310.13 g/mol
LogP3.81
Rot. Bonds4

About 2,2-dichloro-N-[2-(difluoromethoxy)phenyl]-1-methylcyclopropane-1-carboxamide

2,2-dichloro-N-[2-(difluoromethoxy)phenyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 47135412) has the molecular formula C12H11Cl2F2NO2 and a molecular weight of 310.13 g/mol. Its IUPAC name is 2,2-dichloro-N-[2-(difluoromethoxy)phenyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[2-(difluoromethoxy)phenyl]-1-methylcyclopropane-1-carboxamide
PubChem CID47135412
Molecular FormulaC12H11Cl2F2NO2
Molecular Weight310.13 g/mol
Exact Mass309.01
IUPAC Name2,2-dichloro-N-[2-(difluoromethoxy)phenyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2ccccc2OC(F)F)CC1(Cl)Cl
InChIInChI=1S/C12H11Cl2F2NO2/c1-11(6-12(11,13)14)9(18)17-7-4-2-3-5-8(7)19-10(15)16/h2-5,10H,6H2,1H3,(H,17,18)
InChIKeyPTBPNUWZDSAUEX-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.13
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methylcyclopropane-1-carboxamide
CID 46552870
N-[2-(difluoromethoxy)phenyl]-3-methylpiperidine-3-carboxamide
CID 63130045
2-chloro-N-[[2-(difluoromethoxy)phenyl]carbamoyl]propanamide
CID 43329114
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422
2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 43146665
N-[2-(difluoromethoxy)phenyl]-2,2,3,3-tetrafluoropropanamide
CID 103732374
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2627422
2-(azetidin-3-yl)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 116674736
2-chloro-N-[2-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 953108
(1S)-2,2-dichloro-1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 30093775
2-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]-2-methylbutanamide
CID 114290328
N-[2-(difluoromethoxy)phenyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111331721

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[2-(difluoromethoxy)phenyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[2-(difluoromethoxy)phenyl]-1-methylcyclopropane-1-carboxamide (CID 47135412) is 2,2-dichloro-N-[2-(difluoromethoxy)phenyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[2-(difluoromethoxy)phenyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[2-(difluoromethoxy)phenyl]-1-methylcyclopropane-1-carboxamide is CC1(C(=O)Nc2ccccc2OC(F)F)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[2-(difluoromethoxy)phenyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is PTBPNUWZDSAUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2F2NO2/c1-11(6-12(11,13)14)9(18)17-7-4-2-3-5-8(7)19-10(15)16/h2-5,10H,6H2,1H3,(H,17,18).
What are the key properties of 2,2-dichloro-N-[2-(difluoromethoxy)phenyl]-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-[2-(difluoromethoxy)phenyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 310.13 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[2-(difluoromethoxy)phenyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 47135412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).