1-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide

C19H17BrF3NO — CID 55521666

IUPAC1-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H17BrF3NO/c1-24(12-13-2-4-15(5-3-13)19(21,22)23)17(25)18(10-11-18)14-6-8-16(20)9-7-14/h2-9H,10-12H2,1H3
InChIKeyFKBDYDFRXIWXKL-UHFFFAOYSA-N
MW412.25 g/mol
LogP5.16
Rot. Bonds4

About 1-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide

1-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 55521666) has the molecular formula C19H17BrF3NO and a molecular weight of 412.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID55521666
Molecular FormulaC19H17BrF3NO
Molecular Weight412.25 g/mol
Exact Mass411.04
IUPAC Name1-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H17BrF3NO/c1-24(12-13-2-4-15(5-3-13)19(21,22)23)17(25)18(10-11-18)14-6-8-16(20)9-7-14/h2-9H,10-12H2,1H3
InChIKeyFKBDYDFRXIWXKL-UHFFFAOYSA-N
XLogP5.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.25
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55330788
N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 55429305
1-acetyl-N-methyl-4-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 39915165
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 112790191
1-(4-fluorophenyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclopropane-1-carboxamide
CID 134002240
1-(aminomethyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 115448413
1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 55521659
1-(4-bromophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 55521841
N-[(4-bromophenyl)methyl]-N,1-dimethylcyclohexane-1-carboxamide
CID 104985630
4-(4-chlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide
CID 134787709
N-benzyl-1-(4-bromophenyl)-N-cyclopropylcyclopropane-1-carboxamide
CID 112812586
N-[(4-bromophenyl)methyl]-3,3,3-trifluoro-N-methylpropanamide
CID 60731305

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide (CID 55521666) is 1-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide is CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is FKBDYDFRXIWXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrF3NO/c1-24(12-13-2-4-15(5-3-13)19(21,22)23)17(25)18(10-11-18)14-6-8-16(20)9-7-14/h2-9H,10-12H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide?
1-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 412.25 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55521666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).