2,2-dichloro-1-methyl-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C12H10Cl2F3NO — CID 17071382

IUPAC2,2-dichloro-1-methyl-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1(Cl)Cl
InChIInChI=1S/C12H10Cl2F3NO/c1-10(6-11(10,13)14)9(19)18-8-4-2-7(3-5-8)12(15,16)17/h2-5H,6H2,1H3,(H,18,19)
InChIKeyMUPZWWUMQFWUJA-UHFFFAOYSA-N
MW312.12 g/mol
LogP4.23
Rot. Bonds2

About 2,2-dichloro-1-methyl-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

2,2-dichloro-1-methyl-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 17071382) has the molecular formula C12H10Cl2F3NO and a molecular weight of 312.12 g/mol. Its IUPAC name is 2,2-dichloro-1-methyl-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-1-methyl-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID17071382
Molecular FormulaC12H10Cl2F3NO
Molecular Weight312.12 g/mol
Exact Mass311.01
IUPAC Name2,2-dichloro-1-methyl-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1(Cl)Cl
InChIInChI=1S/C12H10Cl2F3NO/c1-10(6-11(10,13)14)9(19)18-8-4-2-7(3-5-8)12(15,16)17/h2-5H,6H2,1H3,(H,18,19)
InChIKeyMUPZWWUMQFWUJA-UHFFFAOYSA-N
XLogP4.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.12
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-1-methyl-N-phenylcyclopropane-1-carboxamide
CID 16624359
4-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]benzamide
CID 26636437
4-ethyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 63127198
N-[4-acetamido-2-(trifluoromethyl)phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 43041008
2,2-dichloro-N-(3-fluoro-4-methylphenyl)-1-methylcyclopropane-1-carboxamide
CID 42910477
2,2-dichloro-N-(3-chloro-4-fluorophenyl)-1-methylcyclopropane-1-carboxamide
CID 42910446
N-[4-(trifluoromethyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167872368
1-amino-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 65466760
1-N'-(4-chlorophenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982590
1-N'-(4-fluorophenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982390
2,2-dichloro-N-[(4-hydroxyphenyl)carbamothioyl]-1-methylcyclopropane-1-carboxamide
CID 110190236
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-methyl-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-1-methyl-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 17071382) is 2,2-dichloro-1-methyl-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-1-methyl-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-1-methyl-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is CC1(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-methyl-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is MUPZWWUMQFWUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2F3NO/c1-10(6-11(10,13)14)9(19)18-8-4-2-7(3-5-8)12(15,16)17/h2-5H,6H2,1H3,(H,18,19).
What are the key properties of 2,2-dichloro-1-methyl-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
2,2-dichloro-1-methyl-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 312.12 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-methyl-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 17071382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).