N-(4-bromo-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C19H17BrF3NO — CID 112835572

IUPACN-(4-bromo-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCc1cc(Br)cc(C)c1NC(=O)C1CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17BrF3NO/c1-10-7-14(20)8-11(2)17(10)24-18(25)16-9-15(16)12-3-5-13(6-4-12)19(21,22)23/h3-8,15-16H,9H2,1-2H3,(H,24,25)
InChIKeyUHWZICSEMMEXEV-UHFFFAOYSA-N
MW412.25 g/mol
LogP5.83
Rot. Bonds3

About N-(4-bromo-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-(4-bromo-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 112835572) has the molecular formula C19H17BrF3NO and a molecular weight of 412.25 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID112835572
Molecular FormulaC19H17BrF3NO
Molecular Weight412.25 g/mol
Exact Mass411.04
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCc1cc(Br)cc(C)c1NC(=O)C1CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17BrF3NO/c1-10-7-14(20)8-11(2)17(10)24-18(25)16-9-15(16)12-3-5-13(6-4-12)19(21,22)23/h3-8,15-16H,9H2,1-2H3,(H,24,25)
InChIKeyUHWZICSEMMEXEV-UHFFFAOYSA-N
XLogP5.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.25
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4,5-dimethoxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134009885
N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134009742
trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 843468
1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone
CID 93025354
(2R)-N-propyl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 130471039
4-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
CID 134055582
N-(1-hydroxypropan-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78856627
N-(3-acetamido-4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134050960
N-tert-butyl-3-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
CID 78890969
methyl 5-morpholin-4-yl-2-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzoate
CID 134033515
cis-(1R,2S)-2-(4-bromophenyl)-N-methylcyclopropane-1-carboxamide
CID 129348369
1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene
CID 11063442

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 112835572) is N-(4-bromo-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is Cc1cc(Br)cc(C)c1NC(=O)C1CC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is UHWZICSEMMEXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrF3NO/c1-10-7-14(20)8-11(2)17(10)24-18(25)16-9-15(16)12-3-5-13(6-4-12)19(21,22)23/h3-8,15-16H,9H2,1-2H3,(H,24,25).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-(4-bromo-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 412.25 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 112835572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).