N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-3-(trifluoromethyl)benzamide

C19H17F4NO2 — CID 174876495

IUPACN-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-3-(trifluoromethyl)benzamide
SMILESCN(C[C@@H](CC=O)c1ccc(F)cc1)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F4NO2/c1-24(12-15(9-10-25)13-5-7-17(20)8-6-13)18(26)14-3-2-4-16(11-14)19(21,22)23/h2-8,10-11,15H,9,12H2,1H3/t15-/m1/s1
InChIKeyUPQAMXZTZUSRPD-OAHLLOKOSA-N
MW367.34 g/mol
LogP4.29
Rot. Bonds6

About N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-3-(trifluoromethyl)benzamide

N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-3-(trifluoromethyl)benzamide (PubChem CID 174876495) has the molecular formula C19H17F4NO2 and a molecular weight of 367.34 g/mol. Its IUPAC name is N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-3-(trifluoromethyl)benzamide
PubChem CID174876495
Molecular FormulaC19H17F4NO2
Molecular Weight367.34 g/mol
Exact Mass367.12
IUPAC NameN-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-3-(trifluoromethyl)benzamide
SMILESCN(C[C@@H](CC=O)c1ccc(F)cc1)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F4NO2/c1-24(12-15(9-10-25)13-5-7-17(20)8-6-13)18(26)14-3-2-4-16(11-14)19(21,22)23/h2-8,10-11,15H,9,12H2,1H3/t15-/m1/s1
InChIKeyUPQAMXZTZUSRPD-OAHLLOKOSA-N
XLogP4.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-fluorophenyl)-N-methylpent-4-en-1-amine;N-[(2S)-2-(4-fluorophenyl)pent-4-enyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 161114173
N-[(2S)-2-(3,4-dichlorophenyl)-4-oxobutyl]-N,3-dimethylbenzamide
CID 54275892
3-bromo-N-[2-(4-fluorophenyl)-4-iodobutyl]-N-methyl-5-(trifluoromethyl)benzamide
CID 143430793
3-fluoro-N-[2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 72767211
N-[(2S)-2-(3,4-dichlorophenyl)pent-4-enyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 56976945
N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpyridine-4-carboxamide
CID 87305174
N-[(4-fluorophenyl)methyl]-N-[(2S)-4-oxobutan-2-yl]-3,5-bis(trifluoromethyl)benzamide
CID 139705820
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(trifluoromethyl)benzamide
CID 42695653
(Z)-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]but-2-en-1-one
CID 67946359
N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]benzamide
CID 166329824
3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 136577410
methyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate
CID 61383269

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-3-(trifluoromethyl)benzamide (CID 174876495) is N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-3-(trifluoromethyl)benzamide is CN(C[C@@H](CC=O)c1ccc(F)cc1)C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-3-(trifluoromethyl)benzamide?
The InChIKey is UPQAMXZTZUSRPD-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H17F4NO2/c1-24(12-15(9-10-25)13-5-7-17(20)8-6-13)18(26)14-3-2-4-16(11-14)19(21,22)23/h2-8,10-11,15H,9,12H2,1H3/t15-/m1/s1.
What are the key properties of N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-3-(trifluoromethyl)benzamide?
N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-3-(trifluoromethyl)benzamide has a molecular weight of 367.34 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 174876495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).