3-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide

C15H21FN2O3 — CID 78785991

IUPAC3-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide
SMILESCC(C)OCCCNC(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C15H21FN2O3/c1-11(2)21-8-4-7-17-14(19)10-18-15(20)12-5-3-6-13(16)9-12/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyZSAVXSORCQBAOA-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.49
Rot. Bonds8

About 3-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide

3-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide (PubChem CID 78785991) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 3-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide
PubChem CID78785991
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name3-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide
SMILESCC(C)OCCCNC(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C15H21FN2O3/c1-11(2)21-8-4-7-17-14(19)10-18-15(20)12-5-3-6-13(16)9-12/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyZSAVXSORCQBAOA-UHFFFAOYSA-N
XLogP1.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.49
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

3-fluoro-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide
CID 107299544
N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
CID 78784679
2-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide
CID 40628904
N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583
3-fluoro-N-[3-[(3-propan-2-yloxypropylcarbamoylamino)methyl]phenyl]benzamide
CID 87034699
2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide
CID 62662327
3-(propanoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 17309759
2,4-difluoro-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide
CID 46536800
N-[3-(4-aminopentanoylamino)propyl]-3-fluorobenzamide
CID 120562623
methyl 3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]butanoate
CID 78825239
3-(carbamoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 29209849
N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide
CID 110485660

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide (CID 78785991) is 3-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide is CC(C)OCCCNC(=O)CNC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide?
The InChIKey is ZSAVXSORCQBAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-11(2)21-8-4-7-17-14(19)10-18-15(20)12-5-3-6-13(16)9-12/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide?
3-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide has a molecular weight of 296.34 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide is sourced from PubChem (CID 78785991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).