2,4-difluoro-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide

C18H18F2N2O3 — CID 18168568

IUPAC2,4-difluoro-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)NCCOc1ccccc1
InChIInChI=1S/C18H18F2N2O3/c19-13-6-7-15(16(20)12-13)18(24)22-9-8-17(23)21-10-11-25-14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,21,23)(H,22,24)
InChIKeyIDIVUVFIHIGDJA-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.28
Rot. Bonds8

About 2,4-difluoro-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide

2,4-difluoro-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide (PubChem CID 18168568) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide
PubChem CID18168568
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name2,4-difluoro-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)NCCOc1ccccc1
InChIInChI=1S/C18H18F2N2O3/c19-13-6-7-15(16(20)12-13)18(24)22-9-8-17(23)21-10-11-25-14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,21,23)(H,22,24)
InChIKeyIDIVUVFIHIGDJA-UHFFFAOYSA-N
XLogP2.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.28
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-(2-phenoxyethyl)benzamide
CID 26676947
N-[3-[2-(3-bromophenoxy)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 55919465
2,4-difluoro-N-[3-oxo-3-(2-phenylsulfanylethylamino)propyl]benzamide
CID 42103921
2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide
CID 30756648
5-fluoro-2-hydroxy-N-(2-phenoxyethyl)benzamide
CID 79532175
3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967
2,4-difluoro-N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 30457128
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 29478462
2,4-difluoro-N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]benzamide
CID 78802712
3-[2-[(2,4-difluorobenzoyl)amino]ethoxy]propanoic acid
CID 112739168
2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide
CID 51314532
5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide
CID 17431359

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide (CID 18168568) is 2,4-difluoro-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide is O=C(CCNC(=O)c1ccc(F)cc1F)NCCOc1ccccc1.
What is the InChIKey of 2,4-difluoro-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide?
The InChIKey is IDIVUVFIHIGDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c19-13-6-7-15(16(20)12-13)18(24)22-9-8-17(23)21-10-11-25-14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,21,23)(H,22,24).
What are the key properties of 2,4-difluoro-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide?
2,4-difluoro-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide has a molecular weight of 348.35 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide is sourced from PubChem (CID 18168568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).