N-but-2-enyl-2-chloro-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide

C19H17ClF3NO — CID 54049845

IUPACN-but-2-enyl-2-chloro-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC=CCN(C(=O)C(Cl)c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17ClF3NO/c1-2-3-12-24(16-11-7-10-15(13-16)19(21,22)23)18(25)17(20)14-8-5-4-6-9-14/h2-11,13,17H,12H2,1H3
InChIKeyLSCRZYXKBBWFPJ-UHFFFAOYSA-N
MW367.80 g/mol
LogP5.59
Rot. Bonds5

About N-but-2-enyl-2-chloro-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide

N-but-2-enyl-2-chloro-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 54049845) has the molecular formula C19H17ClF3NO and a molecular weight of 367.80 g/mol. Its IUPAC name is N-but-2-enyl-2-chloro-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-but-2-enyl-2-chloro-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID54049845
Molecular FormulaC19H17ClF3NO
Molecular Weight367.80 g/mol
Exact Mass367.10
IUPAC NameN-but-2-enyl-2-chloro-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC=CCN(C(=O)C(Cl)c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17ClF3NO/c1-2-3-12-24(16-11-7-10-15(13-16)19(21,22)23)18(25)17(20)14-8-5-4-6-9-14/h2-11,13,17H,12H2,1H3
InChIKeyLSCRZYXKBBWFPJ-UHFFFAOYSA-N
XLogP5.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.80
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-but-2-enyl-2-chloro-2-phenyl-N-[3-(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-but-2-enyl-2,2,2-trichloro-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54376750
1-but-2-enyl-3-phenyl-1-[3-(trifluoromethyl)phenyl]thiourea
CID 54473079
N-but-2-enyl-2-chloro-N-(2-chloro-5-propan-2-ylphenyl)-2-(3-fluorophenyl)acetamide
CID 174304229
(2S)-2-[N-ethyl-3-(trifluoromethyl)anilino]propanoic acid
CID 100520412
propan-2-yl N-(chloromethyl)-N-[3-(trifluoromethyl)phenyl]carbamate
CID 23465054
2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 65431890
(2S)-2-[N-ethyl-3-(trifluoromethyl)anilino]butanoic acid
CID 100520434
1-[(Z)-2-chlorobut-2-enyl]-1-[3-(trifluoromethyl)phenyl]thiourea
CID 21480098
N,N',N'-trimethyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 70532462
propan-2-yl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate
CID 140972623
2-[N-propyl-3-(trifluoromethyl)anilino]propanoic acid
CID 133150394
3-[N-(2-methoxyacetyl)-3-(trifluoromethyl)anilino]propanoic acid
CID 82321756

Frequently Asked Questions

What is the IUPAC name of N-but-2-enyl-2-chloro-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-but-2-enyl-2-chloro-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide (CID 54049845) is N-but-2-enyl-2-chloro-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-but-2-enyl-2-chloro-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-but-2-enyl-2-chloro-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide is CC=CCN(C(=O)C(Cl)c1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-but-2-enyl-2-chloro-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LSCRZYXKBBWFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3NO/c1-2-3-12-24(16-11-7-10-15(13-16)19(21,22)23)18(25)17(20)14-8-5-4-6-9-14/h2-11,13,17H,12H2,1H3.
What are the key properties of N-but-2-enyl-2-chloro-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide?
N-but-2-enyl-2-chloro-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 367.80 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-enyl-2-chloro-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 54049845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).