2-[3-bromo-5-(trifluoromethyl)anilino]-N-tert-butylpropanamide

C14H18BrF3N2O — CID 65489625

IUPAC2-[3-bromo-5-(trifluoromethyl)anilino]-N-tert-butylpropanamide
SMILESCC(Nc1cc(Br)cc(C(F)(F)F)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H18BrF3N2O/c1-8(12(21)20-13(2,3)4)19-11-6-9(14(16,17)18)5-10(15)7-11/h5-8,19H,1-4H3,(H,20,21)
InChIKeyRWPBNVNSFBNZLS-UHFFFAOYSA-N
MW367.21 g/mol
LogP4.18
Rot. Bonds3

About 2-[3-bromo-5-(trifluoromethyl)anilino]-N-tert-butylpropanamide

2-[3-bromo-5-(trifluoromethyl)anilino]-N-tert-butylpropanamide (PubChem CID 65489625) has the molecular formula C14H18BrF3N2O and a molecular weight of 367.21 g/mol. Its IUPAC name is 2-[3-bromo-5-(trifluoromethyl)anilino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[3-bromo-5-(trifluoromethyl)anilino]-N-tert-butylpropanamide
PubChem CID65489625
Molecular FormulaC14H18BrF3N2O
Molecular Weight367.21 g/mol
Exact Mass366.06
IUPAC Name2-[3-bromo-5-(trifluoromethyl)anilino]-N-tert-butylpropanamide
SMILESCC(Nc1cc(Br)cc(C(F)(F)F)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H18BrF3N2O/c1-8(12(21)20-13(2,3)4)19-11-6-9(14(16,17)18)5-10(15)7-11/h5-8,19H,1-4H3,(H,20,21)
InChIKeyRWPBNVNSFBNZLS-UHFFFAOYSA-N
XLogP4.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[3-chloro-5-(trifluoromethyl)anilino]propanamide
CID 116699575
N-tert-butyl-2-[4-(trifluoromethyl)anilino]propanamide
CID 43087018
3-bromo-N-propan-2-yl-5-(trifluoromethyl)aniline
CID 65491386
2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propanamide
CID 65490818
2-(4-bromo-2,6-dichloroanilino)-N-tert-butylpropanamide
CID 43126681
3-[3-bromo-5-(trifluoromethyl)anilino]-2-methyl-3-oxopropanoic acid
CID 114898660
methyl 3-[3-bromo-5-(trifluoromethyl)anilino]butanoate
CID 65489041
2-[(6-bromonaphthalen-2-yl)amino]-N-tert-butylpropanamide
CID 80973497
2-(4-bromo-3-fluoroanilino)-N-tert-butylpropanamide
CID 65437707
N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3,5-bis(trifluoromethyl)benzamide
CID 52771706
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 103430139
3-bromo-N-but-3-en-2-yl-5-(trifluoromethyl)aniline
CID 107907159

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-(trifluoromethyl)anilino]-N-tert-butylpropanamide?
The IUPAC name of 2-[3-bromo-5-(trifluoromethyl)anilino]-N-tert-butylpropanamide (CID 65489625) is 2-[3-bromo-5-(trifluoromethyl)anilino]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[3-bromo-5-(trifluoromethyl)anilino]-N-tert-butylpropanamide?
The canonical SMILES for 2-[3-bromo-5-(trifluoromethyl)anilino]-N-tert-butylpropanamide is CC(Nc1cc(Br)cc(C(F)(F)F)c1)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[3-bromo-5-(trifluoromethyl)anilino]-N-tert-butylpropanamide?
The InChIKey is RWPBNVNSFBNZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF3N2O/c1-8(12(21)20-13(2,3)4)19-11-6-9(14(16,17)18)5-10(15)7-11/h5-8,19H,1-4H3,(H,20,21).
What are the key properties of 2-[3-bromo-5-(trifluoromethyl)anilino]-N-tert-butylpropanamide?
2-[3-bromo-5-(trifluoromethyl)anilino]-N-tert-butylpropanamide has a molecular weight of 367.21 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-5-(trifluoromethyl)anilino]-N-tert-butylpropanamide is sourced from PubChem (CID 65489625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).