2,4-difluoro-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide

C15H20F2N2O2 — CID 43039090

IUPAC2,4-difluoro-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide
SMILESCC(C)C(C)NC(=O)CCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H20F2N2O2/c1-9(2)10(3)19-14(20)6-7-18-15(21)12-5-4-11(16)8-13(12)17/h4-5,8-10H,6-7H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyKCYRIKNKKXPGRU-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.25
Rot. Bonds6

About 2,4-difluoro-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide

2,4-difluoro-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide (PubChem CID 43039090) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide
PubChem CID43039090
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name2,4-difluoro-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide
SMILESCC(C)C(C)NC(=O)CCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H20F2N2O2/c1-9(2)10(3)19-14(20)6-7-18-15(21)12-5-4-11(16)8-13(12)17/h4-5,8-10H,6-7H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyKCYRIKNKKXPGRU-UHFFFAOYSA-N
XLogP2.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-N-[3-[1-(4-methylphenyl)ethylamino]-3-oxopropyl]benzamide
CID 46586720
2,4-difluoro-N-[4-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]benzamide
CID 24625565
N-[3-[2-(diethylamino)propylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 46447028
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
2,4-difluoro-N-[3-oxo-3-[1-(3,4,5-trimethoxyphenyl)ethylamino]propyl]benzamide
CID 55709547
2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide
CID 78803699
N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 51192686
2,4-difluoro-N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]benzamide
CID 78802712
N-[3-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 55501871
N-(3-bromobutyl)-2,4-difluorobenzamide
CID 114312638
(2S)-2-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]hexanoic acid
CID 120615201

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide (CID 43039090) is 2,4-difluoro-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide is CC(C)C(C)NC(=O)CCNC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide?
The InChIKey is KCYRIKNKKXPGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-9(2)10(3)19-14(20)6-7-18-15(21)12-5-4-11(16)8-13(12)17/h4-5,8-10H,6-7H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 2,4-difluoro-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide?
2,4-difluoro-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide has a molecular weight of 298.33 g/mol, XLogP of 2.25, 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-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 43039090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).