N-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide

C12H13ClF3NO — CID 113271516

IUPACN-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(Cl)CNC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13ClF3NO/c1-8(13)7-17-11(18)6-9-2-4-10(5-3-9)12(14,15)16/h2-5,8H,6-7H2,1H3,(H,17,18)
InChIKeyAMLJXJDOVYKBNY-UHFFFAOYSA-N
MW279.69 g/mol
LogP2.99
Rot. Bonds4

About N-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide

N-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 113271516) has the molecular formula C12H13ClF3NO and a molecular weight of 279.69 g/mol. Its IUPAC name is N-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID113271516
Molecular FormulaC12H13ClF3NO
Molecular Weight279.69 g/mol
Exact Mass279.06
IUPAC NameN-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(Cl)CNC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13ClF3NO/c1-8(13)7-17-11(18)6-9-2-4-10(5-3-9)12(14,15)16/h2-5,8H,6-7H2,1H3,(H,17,18)
InChIKeyAMLJXJDOVYKBNY-UHFFFAOYSA-N
XLogP2.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide 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

N-(2-bromopropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114308761
2-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 90534709
N-(3-aminobutyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119497448
3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 21016485
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34972442
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
N-(3-propan-2-yloxypropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 47015106
N-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115395
N-(1-bromopropan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114310617
N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide
CID 114296344
3-(methylamino)-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 116564980
N-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 86976279

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 113271516) is N-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide is CC(Cl)CNC(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is AMLJXJDOVYKBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3NO/c1-8(13)7-17-11(18)6-9-2-4-10(5-3-9)12(14,15)16/h2-5,8H,6-7H2,1H3,(H,17,18).
What are the key properties of N-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 279.69 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 113271516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).