3,4-difluoro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]benzamide

C20H19F3N2O2 — CID 166896733

IUPAC3,4-difluoro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]benzamide
SMILESC=C(CCNC(=O)c1ccc(F)c(F)c1)[C@@H](C)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H19F3N2O2/c1-12(13(2)19(26)25-16-6-4-15(21)5-7-16)9-10-24-20(27)14-3-8-17(22)18(23)11-14/h3-8,11,13H,1,9-10H2,2H3,(H,24,27)(H,25,26)/t13-/m1/s1
InChIKeyCFBROXKRBZXLMA-CYBMUJFWSA-N
MW376.38 g/mol
LogP4.05
Rot. Bonds7

About 3,4-difluoro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]benzamide

3,4-difluoro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]benzamide (PubChem CID 166896733) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 3,4-difluoro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]benzamide
PubChem CID166896733
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name3,4-difluoro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]benzamide
SMILESC=C(CCNC(=O)c1ccc(F)c(F)c1)[C@@H](C)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H19F3N2O2/c1-12(13(2)19(26)25-16-6-4-15(21)5-7-16)9-10-24-20(27)14-3-8-17(22)18(23)11-14/h3-8,11,13H,1,9-10H2,2H3,(H,24,27)(H,25,26)/t13-/m1/s1
InChIKeyCFBROXKRBZXLMA-CYBMUJFWSA-N
XLogP4.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[(4S)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]pyridine-2-carboxamide
CID 166896841
benzyl N-[(4S)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]carbamate
CID 166896895
3-chloro-4-fluoro-N-[5-(4-fluoroanilino)-3-methylidene-5-oxopentyl]benzamide
CID 166896887
N-[2-(4-acetamidophenyl)ethyl]-3,4-difluorobenzamide
CID 56825610
3,4-difluoro-N-[4-(4-fluoroanilino)phenyl]benzamide
CID 112986865
3,4-difluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 30349624
N-(2-acetamidoethyl)-4-[2-(4-fluorophenoxy)propanoylamino]benzamide
CID 121062171
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885202
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877892
3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368
N-[4-(butan-2-ylamino)phenyl]-3,4-difluorobenzamide
CID 112980494
3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861935

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]benzamide (CID 166896733) is 3,4-difluoro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]benzamide is C=C(CCNC(=O)c1ccc(F)c(F)c1)[C@@H](C)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 3,4-difluoro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]benzamide?
The InChIKey is CFBROXKRBZXLMA-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-12(13(2)19(26)25-16-6-4-15(21)5-7-16)9-10-24-20(27)14-3-8-17(22)18(23)11-14/h3-8,11,13H,1,9-10H2,2H3,(H,24,27)(H,25,26)/t13-/m1/s1.
What are the key properties of 3,4-difluoro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]benzamide?
3,4-difluoro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]benzamide has a molecular weight of 376.38 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(4R)-5-(4-fluoroanilino)-4-methyl-3-methylidene-5-oxopentyl]benzamide is sourced from PubChem (CID 166896733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).