N-[(4-bromophenyl)methyl]-3,3,3-trifluoro-N-methylpropanamide

C11H11BrF3NO — CID 60731305

IUPACN-[(4-bromophenyl)methyl]-3,3,3-trifluoro-N-methylpropanamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)CC(F)(F)F
InChIInChI=1S/C11H11BrF3NO/c1-16(10(17)6-11(13,14)15)7-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3
InChIKeyFZSQRFVIZKDBFR-UHFFFAOYSA-N
MW310.11 g/mol
LogP3.36
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-3,3,3-trifluoro-N-methylpropanamide

N-[(4-bromophenyl)methyl]-3,3,3-trifluoro-N-methylpropanamide (PubChem CID 60731305) has the molecular formula C11H11BrF3NO and a molecular weight of 310.11 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-3,3,3-trifluoro-N-methylpropanamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-3,3,3-trifluoro-N-methylpropanamide
PubChem CID60731305
Molecular FormulaC11H11BrF3NO
Molecular Weight310.11 g/mol
Exact Mass309.00
IUPAC NameN-[(4-bromophenyl)methyl]-3,3,3-trifluoro-N-methylpropanamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)CC(F)(F)F
InChIInChI=1S/C11H11BrF3NO/c1-16(10(17)6-11(13,14)15)7-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3
InChIKeyFZSQRFVIZKDBFR-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[(4-bromophenyl)methyl]-3,3,3-trifluoro-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-trifluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 54893745
N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82132454
2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55330788
N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide
CID 103601047
N-[(4-bromophenyl)methyl]-N-methyloctanamide
CID 63531159
N-[(4-bromophenyl)methyl]-N-methyldecanamide
CID 65428442
4-[(4-bromophenyl)methyl-methylamino]-3,3-dimethyl-4-oxobutanoic acid
CID 115164853
tert-butyl 4-[(4-bromophenyl)methyl-methylamino]-4-oxobutanoate
CID 106707116
3-amino-N-[2-(4-bromophenyl)ethyl]-N,3-dimethylbutanamide
CID 115155083
N-[(4-bromophenyl)methyl]-3-(2,2-difluoroethoxy)-N-methylpropanamide
CID 103208559
3-[3-[[methyl(3,3,3-trifluoropropanoyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76907769
N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide
CID 78807837

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-3,3,3-trifluoro-N-methylpropanamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-3,3,3-trifluoro-N-methylpropanamide (CID 60731305) is N-[(4-bromophenyl)methyl]-3,3,3-trifluoro-N-methylpropanamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-3,3,3-trifluoro-N-methylpropanamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-3,3,3-trifluoro-N-methylpropanamide is CN(Cc1ccc(Br)cc1)C(=O)CC(F)(F)F.
What is the InChIKey of N-[(4-bromophenyl)methyl]-3,3,3-trifluoro-N-methylpropanamide?
The InChIKey is FZSQRFVIZKDBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO/c1-16(10(17)6-11(13,14)15)7-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-3,3,3-trifluoro-N-methylpropanamide?
N-[(4-bromophenyl)methyl]-3,3,3-trifluoro-N-methylpropanamide has a molecular weight of 310.11 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-3,3,3-trifluoro-N-methylpropanamide is sourced from PubChem (CID 60731305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).