N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentanamide

C13H15BrF3NO — CID 114042936

IUPACN-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C13H15BrF3NO/c1-8(2)3-6-12(19)18-11-7-9(13(15,16)17)4-5-10(11)14/h4-5,7-8H,3,6H2,1-2H3,(H,18,19)
InChIKeySILSOPMNFUYMMC-UHFFFAOYSA-N
MW338.17 g/mol
LogP4.84
Rot. Bonds4

About N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentanamide

N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentanamide (PubChem CID 114042936) has the molecular formula C13H15BrF3NO and a molecular weight of 338.17 g/mol. Its IUPAC name is N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentanamide
PubChem CID114042936
Molecular FormulaC13H15BrF3NO
Molecular Weight338.17 g/mol
Exact Mass337.03
IUPAC NameN-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C13H15BrF3NO/c1-8(2)3-6-12(19)18-11-7-9(13(15,16)17)4-5-10(11)14/h4-5,7-8H,3,6H2,1-2H3,(H,18,19)
InChIKeySILSOPMNFUYMMC-UHFFFAOYSA-N
XLogP4.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 48524701
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 112766856
2-acetamido-N-[2-bromo-5-(trifluoromethyl)phenyl]acetamide
CID 114042935
2-bromo-N-(4-methylpentyl)-5-(trifluoromethyl)aniline
CID 114042779
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120559768
3-[2-bromo-5-(trifluoromethyl)anilino]butanoic acid
CID 114042821
5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 82010864
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(3-methylbutyl)propanediamide
CID 108951833
N-(4-bromo-3-fluorophenyl)-4-methylpentanamide
CID 65437614
N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149635
4-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-(trifluoromethyl)phenyl]pentanamide
CID 120563046
N-[2-amino-4-(trifluoromethyl)phenyl]-3-propan-2-ylsulfanylpropanamide
CID 60886809

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentanamide?
The IUPAC name of N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentanamide (CID 114042936) is N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentanamide.
What is the SMILES notation for N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentanamide?
The canonical SMILES for N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentanamide is CC(C)CCC(=O)Nc1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentanamide?
The InChIKey is SILSOPMNFUYMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3NO/c1-8(2)3-6-12(19)18-11-7-9(13(15,16)17)4-5-10(11)14/h4-5,7-8H,3,6H2,1-2H3,(H,18,19).
What are the key properties of N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentanamide?
N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentanamide has a molecular weight of 338.17 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentanamide is sourced from PubChem (CID 114042936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).