3-[2-chloro-6-(trifluoromethyl)anilino]propanamide

C10H10ClF3N2O — CID 43152515

IUPAC3-[2-chloro-6-(trifluoromethyl)anilino]propanamide
SMILESNC(=O)CCNc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C10H10ClF3N2O/c11-7-3-1-2-6(10(12,13)14)9(7)16-5-4-8(15)17/h1-3,16H,4-5H2,(H2,15,17)
InChIKeyQYKUVZKJEAGOKX-UHFFFAOYSA-N
MW266.65 g/mol
LogP2.65
Rot. Bonds4

About 3-[2-chloro-6-(trifluoromethyl)anilino]propanamide

3-[2-chloro-6-(trifluoromethyl)anilino]propanamide (PubChem CID 43152515) has the molecular formula C10H10ClF3N2O and a molecular weight of 266.65 g/mol. Its IUPAC name is 3-[2-chloro-6-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound Name3-[2-chloro-6-(trifluoromethyl)anilino]propanamide
PubChem CID43152515
Molecular FormulaC10H10ClF3N2O
Molecular Weight266.65 g/mol
Exact Mass266.04
IUPAC Name3-[2-chloro-6-(trifluoromethyl)anilino]propanamide
SMILESNC(=O)CCNc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C10H10ClF3N2O/c11-7-3-1-2-6(10(12,13)14)9(7)16-5-4-8(15)17/h1-3,16H,4-5H2,(H2,15,17)
InChIKeyQYKUVZKJEAGOKX-UHFFFAOYSA-N
XLogP2.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[2-chloro-6-(trifluoromethyl)anilino]acetate
CID 28950851
tert-butyl N-[3-[2-chloro-6-(trifluoromethyl)anilino]propyl]carbamate
CID 103821664
2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 61266948
1-amino-3-[2-chloro-6-(trifluoromethyl)phenyl]urea
CID 43164115
4-[2-chloro-6-(trifluoromethyl)anilino]-4-oxobutanoic acid
CID 43579669
2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)aniline
CID 61492678
N-[2-chloro-6-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79204589
methyl 3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethylpropanoate
CID 79629134
N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide
CID 64591639
3-(2,3-dichloroanilino)propanamide
CID 43152512
2-[[2-chloro-6-(trifluoromethyl)anilino]methyl]phenol
CID 28950675
3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethylpropan-1-ol
CID 81414844

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-6-(trifluoromethyl)anilino]propanamide?
The IUPAC name of 3-[2-chloro-6-(trifluoromethyl)anilino]propanamide (CID 43152515) is 3-[2-chloro-6-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for 3-[2-chloro-6-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for 3-[2-chloro-6-(trifluoromethyl)anilino]propanamide is NC(=O)CCNc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 3-[2-chloro-6-(trifluoromethyl)anilino]propanamide?
The InChIKey is QYKUVZKJEAGOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O/c11-7-3-1-2-6(10(12,13)14)9(7)16-5-4-8(15)17/h1-3,16H,4-5H2,(H2,15,17).
What are the key properties of 3-[2-chloro-6-(trifluoromethyl)anilino]propanamide?
3-[2-chloro-6-(trifluoromethyl)anilino]propanamide has a molecular weight of 266.65 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-6-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 43152515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).