2,4-difluoro-N-[3-[1-(4-methylphenyl)ethylamino]-3-oxopropyl]benzamide

C19H20F2N2O2 — CID 46586720

IUPAC2,4-difluoro-N-[3-[1-(4-methylphenyl)ethylamino]-3-oxopropyl]benzamide
SMILESCc1ccc(C(C)NC(=O)CCNC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H20F2N2O2/c1-12-3-5-14(6-4-12)13(2)23-18(24)9-10-22-19(25)16-8-7-15(20)11-17(16)21/h3-8,11,13H,9-10H2,1-2H3,(H,22,25)(H,23,24)
InChIKeySSKVLSWHAAPXOU-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.27
Rot. Bonds6

About 2,4-difluoro-N-[3-[1-(4-methylphenyl)ethylamino]-3-oxopropyl]benzamide

2,4-difluoro-N-[3-[1-(4-methylphenyl)ethylamino]-3-oxopropyl]benzamide (PubChem CID 46586720) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-[1-(4-methylphenyl)ethylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-[1-(4-methylphenyl)ethylamino]-3-oxopropyl]benzamide
PubChem CID46586720
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name2,4-difluoro-N-[3-[1-(4-methylphenyl)ethylamino]-3-oxopropyl]benzamide
SMILESCc1ccc(C(C)NC(=O)CCNC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H20F2N2O2/c1-12-3-5-14(6-4-12)13(2)23-18(24)9-10-22-19(25)16-8-7-15(20)11-17(16)21/h3-8,11,13H,9-10H2,1-2H3,(H,22,25)(H,23,24)
InChIKeySSKVLSWHAAPXOU-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-N-[3-oxo-3-[1-(3,4,5-trimethoxyphenyl)ethylamino]propyl]benzamide
CID 55709547
N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 51192686
2,4-difluoro-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide
CID 43039090
2,4-difluoro-N-[4-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]-4-oxobutyl]benzamide
CID 25489927
2-fluoro-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 112696705
N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 51317758
N-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-2,4-difluorobenzamide
CID 24594828
N-[3-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 41037701
2,4-difluoro-N-[4-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]benzamide
CID 24625565
2,4-difluoro-N-[4-[methyl-[1-(4-methylphenyl)ethyl]amino]-4-oxobutyl]benzamide
CID 134054376
N-[3-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 55501871
2,4-difluoro-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108574241

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-[1-(4-methylphenyl)ethylamino]-3-oxopropyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-[1-(4-methylphenyl)ethylamino]-3-oxopropyl]benzamide (CID 46586720) is 2,4-difluoro-N-[3-[1-(4-methylphenyl)ethylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-[1-(4-methylphenyl)ethylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-[1-(4-methylphenyl)ethylamino]-3-oxopropyl]benzamide is Cc1ccc(C(C)NC(=O)CCNC(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of 2,4-difluoro-N-[3-[1-(4-methylphenyl)ethylamino]-3-oxopropyl]benzamide?
The InChIKey is SSKVLSWHAAPXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-12-3-5-14(6-4-12)13(2)23-18(24)9-10-22-19(25)16-8-7-15(20)11-17(16)21/h3-8,11,13H,9-10H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 2,4-difluoro-N-[3-[1-(4-methylphenyl)ethylamino]-3-oxopropyl]benzamide?
2,4-difluoro-N-[3-[1-(4-methylphenyl)ethylamino]-3-oxopropyl]benzamide has a molecular weight of 346.38 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-[1-(4-methylphenyl)ethylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 46586720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).