4-(2,4-difluorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]benzamide

C19H20F2N2O2 — CID 119060880

IUPAC4-(2,4-difluorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]benzamide
SMILESCC(C)C(=O)NCCNC(=O)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H20F2N2O2/c1-12(2)18(24)22-9-10-23-19(25)14-5-3-13(4-6-14)16-8-7-15(20)11-17(16)21/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCPIYXIXJWLCBNU-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.13
Rot. Bonds6

About 4-(2,4-difluorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]benzamide

4-(2,4-difluorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]benzamide (PubChem CID 119060880) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]benzamide
PubChem CID119060880
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name4-(2,4-difluorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]benzamide
SMILESCC(C)C(=O)NCCNC(=O)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H20F2N2O2/c1-12(2)18(24)22-9-10-23-19(25)14-5-3-13(4-6-14)16-8-7-15(20)11-17(16)21/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCPIYXIXJWLCBNU-UHFFFAOYSA-N
XLogP3.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-difluorophenyl)-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]benzamide
CID 125163143
N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide
CID 119299559
2-bromo-4-fluoro-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 60666175
CID 21154987
CID 21154987
potassium 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate
CID 23699503
propan-2-yl (2S)-2-[[4-(2,4-difluorophenyl)benzoyl]amino]-3-imidazol-1-ylpropanoate
CID 134152409
3-[[4-[2-[4-(2,4-difluorophenyl)phenyl]-2-bicyclo[2.2.1]heptanyl]benzoyl]amino]propanoic acid
CID 24831284
4-amino-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 61248489
4-tert-butyl-N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]benzamide
CID 84958314
4-fluoro-2-hydroxy-N-[3-(2-methylpropanoylamino)propyl]benzamide
CID 86814360
N-[2-(2,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 110795613
2-[[4-[[1-[[5-(2,4-difluorophenyl)-2-pyridinyl]oxy]-3-methylpentan-2-yl]amino]benzoyl]amino]ethanesulfonic acid
CID 146224668

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]benzamide?
The IUPAC name of 4-(2,4-difluorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]benzamide (CID 119060880) is 4-(2,4-difluorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]benzamide.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]benzamide?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]benzamide is CC(C)C(=O)NCCNC(=O)c1ccc(-c2ccc(F)cc2F)cc1.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]benzamide?
The InChIKey is CPIYXIXJWLCBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-12(2)18(24)22-9-10-23-19(25)14-5-3-13(4-6-14)16-8-7-15(20)11-17(16)21/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 4-(2,4-difluorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]benzamide?
4-(2,4-difluorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]benzamide has a molecular weight of 346.38 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]benzamide is sourced from PubChem (CID 119060880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).