N-(4-chlorobutyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide

C15H19ClF3NO — CID 91753861

IUPACN-(4-chlorobutyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide
SMILESCC(Cc1ccccc1)N(CCCCCl)C(=O)C(F)(F)F
InChIInChI=1S/C15H19ClF3NO/c1-12(11-13-7-3-2-4-8-13)20(10-6-5-9-16)14(21)15(17,18)19/h2-4,7-8,12H,5-6,9-11H2,1H3
InChIKeyKXRFYSZBANRAOS-UHFFFAOYSA-N
MW321.77 g/mol
LogP4.03
Rot. Bonds7

About N-(4-chlorobutyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide

N-(4-chlorobutyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide (PubChem CID 91753861) has the molecular formula C15H19ClF3NO and a molecular weight of 321.77 g/mol. Its IUPAC name is N-(4-chlorobutyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorobutyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide
PubChem CID91753861
Molecular FormulaC15H19ClF3NO
Molecular Weight321.77 g/mol
Exact Mass321.11
IUPAC NameN-(4-chlorobutyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide
SMILESCC(Cc1ccccc1)N(CCCCCl)C(=O)C(F)(F)F
InChIInChI=1S/C15H19ClF3NO/c1-12(11-13-7-3-2-4-8-13)20(10-6-5-9-16)14(21)15(17,18)19/h2-4,7-8,12H,5-6,9-11H2,1H3
InChIKeyKXRFYSZBANRAOS-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4-chlorobutyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)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-Acetylmethamphetamine
CID 526655
2-chloro-N,N-diethyl-2-phenylacetamide
CID 4962500
2-Chloro-N-(1,1-dimethyl-2-phenylethyl)-N-methylacetamide
CID 75298
N-Trifluoroacetyldeoxyephedrine
CID 4601088
N-Trifluoroacetyl amphetamine
CID 530398
N-(Butan-2-yl)-N-(2-phenylethyl)acetamide
CID 3050603
Acetamide, 2-chloro-N-(alpha-methyl-m-trifluoromethylphenethyl)-
CID 210139
2-Chloro-N-methyl-N-(2-phenylethyl)acetamide
CID 12557952
N-Benzyl-2-chloro-N-isopropyl-acetamide
CID 2384365
2-chloro-2-fluoro-N-methyl-N-(2-phenylethyl)acetamide
CID 172452070
N-(4-phenylbutyl)-N-(trifluoromethyl)acetamide
CID 176438386
2,2,2-Trifluoro-N-[(2R)-1-phenylpropan-2-yl]acetamide
CID 14877236

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobutyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide?
The IUPAC name of N-(4-chlorobutyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide (CID 91753861) is N-(4-chlorobutyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide.
What is the SMILES notation for N-(4-chlorobutyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide?
The canonical SMILES for N-(4-chlorobutyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide is CC(Cc1ccccc1)N(CCCCCl)C(=O)C(F)(F)F.
What is the InChIKey of N-(4-chlorobutyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide?
The InChIKey is KXRFYSZBANRAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3NO/c1-12(11-13-7-3-2-4-8-13)20(10-6-5-9-16)14(21)15(17,18)19/h2-4,7-8,12H,5-6,9-11H2,1H3.
What are the key properties of N-(4-chlorobutyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide?
N-(4-chlorobutyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide has a molecular weight of 321.77 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobutyl)-2,2,2-trifluoro-N-(1-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 91753861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).