2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propanamide

C10H10BrF3N2O — CID 65490818

IUPAC2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propanamide
SMILESCC(N)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C10H10BrF3N2O/c1-5(15)9(17)16-8-3-6(10(12,13)14)2-7(11)4-8/h2-5H,15H2,1H3,(H,16,17)
InChIKeyHGVIVCAOKMQQCW-UHFFFAOYSA-N
MW311.10 g/mol
LogP2.75
Rot. Bonds2

About 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propanamide

2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 65490818) has the molecular formula C10H10BrF3N2O and a molecular weight of 311.10 g/mol. Its IUPAC name is 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propanamide
PubChem CID65490818
Molecular FormulaC10H10BrF3N2O
Molecular Weight311.10 g/mol
Exact Mass309.99
IUPAC Name2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propanamide
SMILESCC(N)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C10H10BrF3N2O/c1-5(15)9(17)16-8-3-6(10(12,13)14)2-7(11)4-8/h2-5H,15H2,1H3,(H,16,17)
InChIKeyHGVIVCAOKMQQCW-UHFFFAOYSA-N
XLogP2.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.10
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 65491406
3-[3-bromo-5-(trifluoromethyl)anilino]-2-methyl-3-oxopropanoic acid
CID 114898660
2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylpentanamide
CID 65490224
(2S)-2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119281005
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-carbamothioylbutanamide
CID 65492016
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 103430139
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103708561
2-[3-bromo-5-(trifluoromethyl)anilino]-N-tert-butylpropanamide
CID 65489625
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 65490995
3-bromo-N-propan-2-yl-5-(trifluoromethyl)aniline
CID 65491386
(2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide
CID 54995593
3-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-3-sulfanylidenepropanamide
CID 65491424

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propanamide (CID 65490818) is 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propanamide is CC(N)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is HGVIVCAOKMQQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N2O/c1-5(15)9(17)16-8-3-6(10(12,13)14)2-7(11)4-8/h2-5H,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propanamide?
2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 311.10 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 65490818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).