4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide

C17H16F2N2O2 — CID 2841750

IUPAC4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
SMILESO=C(NCCCNC(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H16F2N2O2/c18-14-6-2-12(3-7-14)16(22)20-10-1-11-21-17(23)13-4-8-15(19)9-5-13/h2-9H,1,10-11H2,(H,20,22)(H,21,23)
InChIKeyKRLDXKLSFXNFIZ-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.51
Rot. Bonds6

About 4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide

4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide (PubChem CID 2841750) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is 4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
PubChem CID2841750
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
SMILESO=C(NCCCNC(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H16F2N2O2/c18-14-6-2-12(3-7-14)16(22)20-10-1-11-21-17(23)13-4-8-15(19)9-5-13/h2-9H,1,10-11H2,(H,20,22)(H,21,23)
InChIKeyKRLDXKLSFXNFIZ-UHFFFAOYSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.51
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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Related Compounds

4-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317186
4-fluoro-N-(2-fluoroethyl)benzamide
CID 130478179
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
4-fluoro-N-(3-methylsulfonylpropyl)benzamide
CID 60859209
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862038
N-(2-aminooxyethyl)-4-fluorobenzamide
CID 39239976
N-[6-amino-5-(hydroxyamino)-6-oxohexyl]-4-fluorobenzamide
CID 89197972
4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045277
N-[3-[[benzyl(methyl)carbamoyl]amino]propyl]-4-fluorobenzamide
CID 56787694
4-N-[3-(4-fluorophenyl)sulfanylpropyl]benzene-1,4-dicarboxamide
CID 30860863
N-[2-(4-aminobutanoylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119299566

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide (CID 2841750) is 4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide is O=C(NCCCNC(=O)c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide?
The InChIKey is KRLDXKLSFXNFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c18-14-6-2-12(3-7-14)16(22)20-10-1-11-21-17(23)13-4-8-15(19)9-5-13/h2-9H,1,10-11H2,(H,20,22)(H,21,23).
What are the key properties of 4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide?
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide has a molecular weight of 318.32 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide is sourced from PubChem (CID 2841750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).