(2S)-2-[4-fluoro-N-[3-(2-fluorophenyl)propyl]-3-methylanilino]-N-methyl-2-phenylacetamide

C25H26F2N2O — CID 69041041

IUPAC(2S)-2-[4-fluoro-N-[3-(2-fluorophenyl)propyl]-3-methylanilino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@H](c1ccccc1)N(CCCc1ccccc1F)c1ccc(F)c(C)c1
InChIInChI=1S/C25H26F2N2O/c1-18-17-21(14-15-22(18)26)29(16-8-12-19-9-6-7-13-23(19)27)24(25(30)28-2)20-10-4-3-5-11-20/h3-7,9-11,13-15,17,24H,8,12,16H2,1-2H3,(H,28,30)/t24-/m0/s1
InChIKeyQWQQOQMXVYOADV-DEOSSOPVSA-N
MW408.49 g/mol
LogP5.20
Rot. Bonds8

About (2S)-2-[4-fluoro-N-[3-(2-fluorophenyl)propyl]-3-methylanilino]-N-methyl-2-phenylacetamide

(2S)-2-[4-fluoro-N-[3-(2-fluorophenyl)propyl]-3-methylanilino]-N-methyl-2-phenylacetamide (PubChem CID 69041041) has the molecular formula C25H26F2N2O and a molecular weight of 408.49 g/mol. Its IUPAC name is (2S)-2-[4-fluoro-N-[3-(2-fluorophenyl)propyl]-3-methylanilino]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[4-fluoro-N-[3-(2-fluorophenyl)propyl]-3-methylanilino]-N-methyl-2-phenylacetamide
PubChem CID69041041
Molecular FormulaC25H26F2N2O
Molecular Weight408.49 g/mol
Exact Mass408.20
IUPAC Name(2S)-2-[4-fluoro-N-[3-(2-fluorophenyl)propyl]-3-methylanilino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@H](c1ccccc1)N(CCCc1ccccc1F)c1ccc(F)c(C)c1
InChIInChI=1S/C25H26F2N2O/c1-18-17-21(14-15-22(18)26)29(16-8-12-19-9-6-7-13-23(19)27)24(25(30)28-2)20-10-4-3-5-11-20/h3-7,9-11,13-15,17,24H,8,12,16H2,1-2H3,(H,28,30)/t24-/m0/s1
InChIKeyQWQQOQMXVYOADV-DEOSSOPVSA-N
XLogP5.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.49
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-fluoro-3-methyl-N-[3-(4-methylsulfonylphenyl)propyl]anilino]-N-methyl-2-phenylacetamide
CID 69043321
2-[3,4-dimethyl-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-N-methyl-2-phenylacetamide
CID 69041685
2-[4-chloro-N-[3-(4-methoxyphenyl)propyl]anilino]-N-methyl-2-phenylacetamide
CID 69039817
(2S)-2-[4-chloro-3-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide
CID 69041144
(2S)-2-[2-fluoro-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-N-methyl-2-phenylacetamide
CID 69044596
N-methyl-2-[4-methyl-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide
CID 69039769
(2R)-N-(cyclopropylmethyl)-2-[4-fluoro-3-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-2-phenylacetamide
CID 69039839
(2R)-2-[3,4-dimethoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide
CID 69041629
3-(N-acetyl-3,4-dimethylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113124504
2-[(2-fluorophenyl)methyl-methylamino]-N,2-diphenylacetamide
CID 18124307
(2R)-2-[3,4-dimethoxy-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-(4-fluorophenyl)-N-methylacetamide
CID 69043156
2-amino-N-(4-fluoro-3-methylphenyl)-2-phenylacetamide
CID 55118745

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-fluoro-N-[3-(2-fluorophenyl)propyl]-3-methylanilino]-N-methyl-2-phenylacetamide?
The IUPAC name of (2S)-2-[4-fluoro-N-[3-(2-fluorophenyl)propyl]-3-methylanilino]-N-methyl-2-phenylacetamide (CID 69041041) is (2S)-2-[4-fluoro-N-[3-(2-fluorophenyl)propyl]-3-methylanilino]-N-methyl-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[4-fluoro-N-[3-(2-fluorophenyl)propyl]-3-methylanilino]-N-methyl-2-phenylacetamide?
The canonical SMILES for (2S)-2-[4-fluoro-N-[3-(2-fluorophenyl)propyl]-3-methylanilino]-N-methyl-2-phenylacetamide is CNC(=O)[C@H](c1ccccc1)N(CCCc1ccccc1F)c1ccc(F)c(C)c1.
What is the InChIKey of (2S)-2-[4-fluoro-N-[3-(2-fluorophenyl)propyl]-3-methylanilino]-N-methyl-2-phenylacetamide?
The InChIKey is QWQQOQMXVYOADV-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H26F2N2O/c1-18-17-21(14-15-22(18)26)29(16-8-12-19-9-6-7-13-23(19)27)24(25(30)28-2)20-10-4-3-5-11-20/h3-7,9-11,13-15,17,24H,8,12,16H2,1-2H3,(H,28,30)/t24-/m0/s1.
What are the key properties of (2S)-2-[4-fluoro-N-[3-(2-fluorophenyl)propyl]-3-methylanilino]-N-methyl-2-phenylacetamide?
(2S)-2-[4-fluoro-N-[3-(2-fluorophenyl)propyl]-3-methylanilino]-N-methyl-2-phenylacetamide has a molecular weight of 408.49 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-fluoro-N-[3-(2-fluorophenyl)propyl]-3-methylanilino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 69041041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).