N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide

C10H9ClF3NO — CID 64591639

IUPACN-[2-chloro-6-(trifluoromethyl)phenyl]propanamide
SMILESCCC(=O)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C10H9ClF3NO/c1-2-8(16)15-9-6(10(12,13)14)4-3-5-7(9)11/h3-5H,2H2,1H3,(H,15,16)
InChIKeySGMYZLQSRWTIOX-UHFFFAOYSA-N
MW251.63 g/mol
LogP3.71
Rot. Bonds2

About N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide

N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide (PubChem CID 64591639) has the molecular formula C10H9ClF3NO and a molecular weight of 251.63 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-chloro-6-(trifluoromethyl)phenyl]propanamide
PubChem CID64591639
Molecular FormulaC10H9ClF3NO
Molecular Weight251.63 g/mol
Exact Mass251.03
IUPAC NameN-[2-chloro-6-(trifluoromethyl)phenyl]propanamide
SMILESCCC(=O)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C10H9ClF3NO/c1-2-8(16)15-9-6(10(12,13)14)4-3-5-7(9)11/h3-5H,2H2,1H3,(H,15,16)
InChIKeySGMYZLQSRWTIOX-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.63
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-chloro-6-(trifluoromethyl)anilino]-4-oxobutanoic acid
CID 43579669
N-[2-chloro-6-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79204589
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915268
2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 61266948
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 60841931
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(prop-2-enylamino)acetamide
CID 78908846
2-(aminomethyl)-N-[2-chloro-6-(trifluoromethyl)phenyl]butanamide
CID 65225587
1-amino-3-[2-chloro-6-(trifluoromethyl)phenyl]urea
CID 43164115
3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethyl-3-oxopropanoic acid
CID 82813361
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide
CID 16510606
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide
CID 134007808
2-[4-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 30996473

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide (CID 64591639) is N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide is CCC(=O)Nc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide?
The InChIKey is SGMYZLQSRWTIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO/c1-2-8(16)15-9-6(10(12,13)14)4-3-5-7(9)11/h3-5H,2H2,1H3,(H,15,16).
What are the key properties of N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide?
N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide has a molecular weight of 251.63 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 64591639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).