N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,4-difluorobenzamide

C19H21F2N3O3 — CID 38539516

IUPACN-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,4-difluorobenzamide
SMILESCCOc1ncccc1CNC(=O)CCCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C19H21F2N3O3/c1-2-27-19-13(5-3-10-23-19)12-24-17(25)6-4-9-22-18(26)15-8-7-14(20)11-16(15)21/h3,5,7-8,10-11H,2,4,6,9,12H2,1H3,(H,22,26)(H,24,25)
InChIKeyVZMHUFRRNAUOCU-UHFFFAOYSA-N
MW377.39 g/mol
LogP2.58
Rot. Bonds9

About N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,4-difluorobenzamide

N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,4-difluorobenzamide (PubChem CID 38539516) has the molecular formula C19H21F2N3O3 and a molecular weight of 377.39 g/mol. Its IUPAC name is N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,4-difluorobenzamide
PubChem CID38539516
Molecular FormulaC19H21F2N3O3
Molecular Weight377.39 g/mol
Exact Mass377.16
IUPAC NameN-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,4-difluorobenzamide
SMILESCCOc1ncccc1CNC(=O)CCCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C19H21F2N3O3/c1-2-27-19-13(5-3-10-23-19)12-24-17(25)6-4-9-22-18(26)15-8-7-14(20)11-16(15)21/h3,5,7-8,10-11H,2,4,6,9,12H2,1H3,(H,22,26)(H,24,25)
InChIKeyVZMHUFRRNAUOCU-UHFFFAOYSA-N
XLogP2.58
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-4-fluorobenzamide
CID 38537865
N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 37486928
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(4-fluorophenyl)propanamide
CID 37487522
4-acetamido-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 56739016
N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 29414441
2,4-difluoro-N-[4-oxo-4-(pyridin-2-ylamino)butyl]benzamide
CID 51312310
2,4-difluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56585771
2,4-difluoro-N-[4-[(3-fluorophenyl)methylamino]-4-oxobutyl]benzamide
CID 46424834
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 37487153
3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967
2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide
CID 78803699
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxyacetamide
CID 56751588

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,4-difluorobenzamide?
The IUPAC name of N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,4-difluorobenzamide (CID 38539516) is N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,4-difluorobenzamide is CCOc1ncccc1CNC(=O)CCCNC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,4-difluorobenzamide?
The InChIKey is VZMHUFRRNAUOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3/c1-2-27-19-13(5-3-10-23-19)12-24-17(25)6-4-9-22-18(26)15-8-7-14(20)11-16(15)21/h3,5,7-8,10-11H,2,4,6,9,12H2,1H3,(H,22,26)(H,24,25).
What are the key properties of N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,4-difluorobenzamide?
N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,4-difluorobenzamide has a molecular weight of 377.39 g/mol, XLogP of 2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,4-difluorobenzamide is sourced from PubChem (CID 38539516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).