N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide

C12H11BrF3NO — CID 67195679

IUPACN-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccc(Br)cc1C(F)(F)F)C1CC1
InChIInChI=1S/C12H11BrF3NO/c13-9-4-3-8(10(5-9)12(14,15)16)6-17-11(18)7-1-2-7/h3-5,7H,1-2,6H2,(H,17,18)
InChIKeyBKJLJDYGFBQTML-UHFFFAOYSA-N
MW322.12 g/mol
LogP3.49
Rot. Bonds3

About N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide

N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide (PubChem CID 67195679) has the molecular formula C12H11BrF3NO and a molecular weight of 322.12 g/mol. Its IUPAC name is N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide
PubChem CID67195679
Molecular FormulaC12H11BrF3NO
Molecular Weight322.12 g/mol
Exact Mass321.00
IUPAC NameN-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccc(Br)cc1C(F)(F)F)C1CC1
InChIInChI=1S/C12H11BrF3NO/c13-9-4-3-8(10(5-9)12(14,15)16)6-17-11(18)7-1-2-7/h3-5,7H,1-2,6H2,(H,17,18)
InChIKeyBKJLJDYGFBQTML-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.12
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 171622043
N-[(5-bromo-2-methylphenyl)methyl]cyclopropanecarboxamide
CID 95971045
4-[(4-bromo-2-chlorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674132
1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-3-methoxyurea
CID 71967369
3-amino-N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]butanamide
CID 120873823
N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide
CID 51118166
3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 66010679
3-amino-N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119809477
tert-butyl-[4-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]carbamic acid
CID 67331195
N-[2-[(4-bromo-2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115598225
3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119705493
1-(benzenesulfonyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 46485716

Frequently Asked Questions

What is the IUPAC name of N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide (CID 67195679) is N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide is O=C(NCc1ccc(Br)cc1C(F)(F)F)C1CC1.
What is the InChIKey of N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide?
The InChIKey is BKJLJDYGFBQTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF3NO/c13-9-4-3-8(10(5-9)12(14,15)16)6-17-11(18)7-1-2-7/h3-5,7H,1-2,6H2,(H,17,18).
What are the key properties of N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide?
N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide has a molecular weight of 322.12 g/mol, XLogP of 3.49, 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-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 67195679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).