3-(4-bromophenyl)-2,2-difluoro-N,N,1-trimethylcyclopropane-1-carboxamide

C13H14BrF2NO — CID 178080234

IUPAC3-(4-bromophenyl)-2,2-difluoro-N,N,1-trimethylcyclopropane-1-carboxamide
SMILESCN(C)C(=O)C1(C)C(c2ccc(Br)cc2)C1(F)F
InChIInChI=1S/C13H14BrF2NO/c1-12(11(18)17(2)3)10(13(12,15)16)8-4-6-9(14)7-5-8/h4-7,10H,1-3H3
InChIKeyYASXAKOMZQBUGG-UHFFFAOYSA-N
MW318.16 g/mol
LogP3.28
Rot. Bonds2

About 3-(4-bromophenyl)-2,2-difluoro-N,N,1-trimethylcyclopropane-1-carboxamide

3-(4-bromophenyl)-2,2-difluoro-N,N,1-trimethylcyclopropane-1-carboxamide (PubChem CID 178080234) has the molecular formula C13H14BrF2NO and a molecular weight of 318.16 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2,2-difluoro-N,N,1-trimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-2,2-difluoro-N,N,1-trimethylcyclopropane-1-carboxamide
PubChem CID178080234
Molecular FormulaC13H14BrF2NO
Molecular Weight318.16 g/mol
Exact Mass317.02
IUPAC Name3-(4-bromophenyl)-2,2-difluoro-N,N,1-trimethylcyclopropane-1-carboxamide
SMILESCN(C)C(=O)C1(C)C(c2ccc(Br)cc2)C1(F)F
InChIInChI=1S/C13H14BrF2NO/c1-12(11(18)17(2)3)10(13(12,15)16)8-4-6-9(14)7-5-8/h4-7,10H,1-3H3
InChIKeyYASXAKOMZQBUGG-UHFFFAOYSA-N
XLogP3.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-bromophenyl)-2,2-difluoro-1-(2-methylpropyl)cyclopropane-1-carboxylic acid
CID 171814856
(1S,2S,3S)-2-(4-bromophenyl)-1-fluoro-2-methyl-3-phenylcyclopropane-1-carboxylic acid
CID 118237229
cis-methyl (1S,3R)-3-(4-bromophenyl)-2,2-difluorocyclopropane-1-carboxylate
CID 177310647
ethyl 3-(4-bromophenyl)-2,2-difluoro-1-(2-methylpropyl)cyclopropane-1-carboxylate
CID 171814912
methyl 2-(4-bromophenyl)-1-fluoro-3-phenylcyclopropane-1-carboxylate
CID 118237237
(4S,5R)-1-(4-bromobenzoyl)-5-methoxy-N,N,4-trimethylazepane-4-carboxamide
CID 122224162
methyl 2-(4-bromophenyl)-3-ethyl-1-fluorocyclopropane-1-carboxylate
CID 123601380
(4S)-4-(4-bromophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7959734
trans-(1R,2R)-2-(4-bromophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 15141054
2-bromo-N,N,1-trimethylcyclopropane-1-carboxamide
CID 12537186
1-bromo-4-(3,3-difluorocyclobutyl)benzene;ethane
CID 167467914
(4R,5S)-4-(4-bromophenyl)-N,N-dimethyl-6-methylidene-2-oxo-1,3-diazinane-5-carboxamide
CID 2415741

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2,2-difluoro-N,N,1-trimethylcyclopropane-1-carboxamide?
The IUPAC name of 3-(4-bromophenyl)-2,2-difluoro-N,N,1-trimethylcyclopropane-1-carboxamide (CID 178080234) is 3-(4-bromophenyl)-2,2-difluoro-N,N,1-trimethylcyclopropane-1-carboxamide.
What is the SMILES notation for 3-(4-bromophenyl)-2,2-difluoro-N,N,1-trimethylcyclopropane-1-carboxamide?
The canonical SMILES for 3-(4-bromophenyl)-2,2-difluoro-N,N,1-trimethylcyclopropane-1-carboxamide is CN(C)C(=O)C1(C)C(c2ccc(Br)cc2)C1(F)F.
What is the InChIKey of 3-(4-bromophenyl)-2,2-difluoro-N,N,1-trimethylcyclopropane-1-carboxamide?
The InChIKey is YASXAKOMZQBUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF2NO/c1-12(11(18)17(2)3)10(13(12,15)16)8-4-6-9(14)7-5-8/h4-7,10H,1-3H3.
What are the key properties of 3-(4-bromophenyl)-2,2-difluoro-N,N,1-trimethylcyclopropane-1-carboxamide?
3-(4-bromophenyl)-2,2-difluoro-N,N,1-trimethylcyclopropane-1-carboxamide has a molecular weight of 318.16 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2,2-difluoro-N,N,1-trimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 178080234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).