2-fluoro-N-[4-[(2-fluorobenzoyl)amino]butyl]benzamide

C18H18F2N2O2 — CID 2166446

IUPAC2-fluoro-N-[4-[(2-fluorobenzoyl)amino]butyl]benzamide
SMILESO=C(NCCCCNC(=O)c1ccccc1F)c1ccccc1F
InChIInChI=1S/C18H18F2N2O2/c19-15-9-3-1-7-13(15)17(23)21-11-5-6-12-22-18(24)14-8-2-4-10-16(14)20/h1-4,7-10H,5-6,11-12H2,(H,21,23)(H,22,24)
InChIKeyMRURUIMNAVVCPC-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.90
Rot. Bonds7

About 2-fluoro-N-[4-[(2-fluorobenzoyl)amino]butyl]benzamide

2-fluoro-N-[4-[(2-fluorobenzoyl)amino]butyl]benzamide (PubChem CID 2166446) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 2-fluoro-N-[4-[(2-fluorobenzoyl)amino]butyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[(2-fluorobenzoyl)amino]butyl]benzamide
PubChem CID2166446
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name2-fluoro-N-[4-[(2-fluorobenzoyl)amino]butyl]benzamide
SMILESO=C(NCCCCNC(=O)c1ccccc1F)c1ccccc1F
InChIInChI=1S/C18H18F2N2O2/c19-15-9-3-1-7-13(15)17(23)21-11-5-6-12-22-18(24)14-8-2-4-10-16(14)20/h1-4,7-10H,5-6,11-12H2,(H,21,23)(H,22,24)
InChIKeyMRURUIMNAVVCPC-UHFFFAOYSA-N
XLogP2.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[(2-fluorobenzoyl)amino]butyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[(2-fluorobenzoyl)amino]butyl]benzamide (CID 2166446) is 2-fluoro-N-[4-[(2-fluorobenzoyl)amino]butyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[(2-fluorobenzoyl)amino]butyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[(2-fluorobenzoyl)amino]butyl]benzamide is O=C(NCCCCNC(=O)c1ccccc1F)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[4-[(2-fluorobenzoyl)amino]butyl]benzamide?
The InChIKey is MRURUIMNAVVCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c19-15-9-3-1-7-13(15)17(23)21-11-5-6-12-22-18(24)14-8-2-4-10-16(14)20/h1-4,7-10H,5-6,11-12H2,(H,21,23)(H,22,24).
What are the key properties of 2-fluoro-N-[4-[(2-fluorobenzoyl)amino]butyl]benzamide?
2-fluoro-N-[4-[(2-fluorobenzoyl)amino]butyl]benzamide has a molecular weight of 332.35 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[(2-fluorobenzoyl)amino]butyl]benzamide is sourced from PubChem (CID 2166446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).