2,4-difluoro-N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]benzamide

C14H18F2N2O3 — CID 110886148

IUPAC2,4-difluoro-N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]benzamide
SMILESCN(CCO)C(=O)CCCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H18F2N2O3/c1-18(7-8-19)13(20)3-2-6-17-14(21)11-5-4-10(15)9-12(11)16/h4-5,9,19H,2-3,6-8H2,1H3,(H,17,21)
InChIKeyPWWVGUCTFYGFLC-UHFFFAOYSA-N
MW300.30 g/mol
LogP0.93
Rot. Bonds7

About 2,4-difluoro-N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]benzamide

2,4-difluoro-N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]benzamide (PubChem CID 110886148) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.30 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]benzamide
PubChem CID110886148
Molecular FormulaC14H18F2N2O3
Molecular Weight300.30 g/mol
Exact Mass300.13
IUPAC Name2,4-difluoro-N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]benzamide
SMILESCN(CCO)C(=O)CCCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H18F2N2O3/c1-18(7-8-19)13(20)3-2-6-17-14(21)11-5-4-10(15)9-12(11)16/h4-5,9,19H,2-3,6-8H2,1H3,(H,17,21)
InChIKeyPWWVGUCTFYGFLC-UHFFFAOYSA-N
XLogP0.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 51192745
2,4-difluoro-N-[4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-4-oxobutyl]benzamide
CID 37492052
2,4-difluoro-N-[4-[methyl-(4-methylcyclohexyl)amino]-4-oxobutyl]benzamide
CID 32917114
2,4-difluoro-N-[4-[methyl-[1-(4-methylphenyl)ethyl]amino]-4-oxobutyl]benzamide
CID 134054376
2,4-difluoro-N-[2-[3-[methyl(methylsulfonyl)amino]propylamino]-2-oxoethyl]benzamide
CID 46434276
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 29478462
2,4-difluoro-N-[3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-3-oxopropyl]benzamide
CID 55766799
N-[3-[2-cyanopropyl(methyl)amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 47034526
3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967
N-[2-(dimethylamino)-2-oxoethyl]-2,4-difluorobenzamide
CID 9480520
2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide
CID 78803699
N-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 18168559

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]benzamide (CID 110886148) is 2,4-difluoro-N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]benzamide is CN(CCO)C(=O)CCCNC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]benzamide?
The InChIKey is PWWVGUCTFYGFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3/c1-18(7-8-19)13(20)3-2-6-17-14(21)11-5-4-10(15)9-12(11)16/h4-5,9,19H,2-3,6-8H2,1H3,(H,17,21).
What are the key properties of 2,4-difluoro-N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]benzamide?
2,4-difluoro-N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]benzamide has a molecular weight of 300.30 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 110886148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).