2-[4-bromo-3-(trifluoromethyl)anilino]propanamide

C10H10BrF3N2O — CID 60672750

IUPAC2-[4-bromo-3-(trifluoromethyl)anilino]propanamide
SMILESCC(Nc1ccc(Br)c(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C10H10BrF3N2O/c1-5(9(15)17)16-6-2-3-8(11)7(4-6)10(12,13)14/h2-5,16H,1H3,(H2,15,17)
InChIKeyIXWWYZLVDZZXOS-UHFFFAOYSA-N
MW311.10 g/mol
LogP2.75
Rot. Bonds3

About 2-[4-bromo-3-(trifluoromethyl)anilino]propanamide

2-[4-bromo-3-(trifluoromethyl)anilino]propanamide (PubChem CID 60672750) has the molecular formula C10H10BrF3N2O and a molecular weight of 311.10 g/mol. Its IUPAC name is 2-[4-bromo-3-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound Name2-[4-bromo-3-(trifluoromethyl)anilino]propanamide
PubChem CID60672750
Molecular FormulaC10H10BrF3N2O
Molecular Weight311.10 g/mol
Exact Mass309.99
IUPAC Name2-[4-bromo-3-(trifluoromethyl)anilino]propanamide
SMILESCC(Nc1ccc(Br)c(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C10H10BrF3N2O/c1-5(9(15)17)16-6-2-3-8(11)7(4-6)10(12,13)14/h2-5,16H,1H3,(H2,15,17)
InChIKeyIXWWYZLVDZZXOS-UHFFFAOYSA-N
XLogP2.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

2-[4-amino-3-(trifluoromethyl)anilino]propanamide
CID 43545460
ethyl 2-[4-bromo-3-(trifluoromethyl)anilino]propanoate
CID 64853962
N-(1-amino-1-oxopropan-2-yl)-4-bromo-3-(trifluoromethyl)benzamide
CID 81448480
methyl 3-[4-bromo-3-(trifluoromethyl)anilino]butanoate
CID 64853587
[4-bromo-3-(trifluoromethyl)anilino]-(4-methylanilino)methanol
CID 178016795
(2R)-2-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]propanoic acid
CID 79001303
4-bromo-N-[1-(4-bromophenyl)ethyl]-3-(trifluoromethyl)aniline
CID 43680401
2-[1-[4-bromo-3-(trifluoromethyl)anilino]ethyl]phenol
CID 43680440
4-bromo-N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)aniline
CID 64628921
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-methylsulfanylpropanamide
CID 43077513
4-bromo-N-heptan-4-yl-3-(trifluoromethyl)aniline
CID 43680414
2-[4-amino-3-(trifluoromethyl)anilino]-N-methylpropanamide
CID 54950316

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-3-(trifluoromethyl)anilino]propanamide?
The IUPAC name of 2-[4-bromo-3-(trifluoromethyl)anilino]propanamide (CID 60672750) is 2-[4-bromo-3-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for 2-[4-bromo-3-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for 2-[4-bromo-3-(trifluoromethyl)anilino]propanamide is CC(Nc1ccc(Br)c(C(F)(F)F)c1)C(N)=O.
What is the InChIKey of 2-[4-bromo-3-(trifluoromethyl)anilino]propanamide?
The InChIKey is IXWWYZLVDZZXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N2O/c1-5(9(15)17)16-6-2-3-8(11)7(4-6)10(12,13)14/h2-5,16H,1H3,(H2,15,17).
What are the key properties of 2-[4-bromo-3-(trifluoromethyl)anilino]propanamide?
2-[4-bromo-3-(trifluoromethyl)anilino]propanamide has a molecular weight of 311.10 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 60672750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).