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

C15H21FN2O3 — CID 40628904

IUPAC2-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide
SMILESCC(C)OCCCNC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C15H21FN2O3/c1-11(2)21-9-5-8-17-14(19)10-18-15(20)12-6-3-4-7-13(12)16/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyQZWZCULPHDOTLT-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.49
Rot. Bonds8

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

2-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide (PubChem CID 40628904) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide
PubChem CID40628904
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name2-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide
SMILESCC(C)OCCCNC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C15H21FN2O3/c1-11(2)21-9-5-8-17-14(19)10-18-15(20)12-6-3-4-7-13(12)16/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyQZWZCULPHDOTLT-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

2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide
CID 62662327
3-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide
CID 78785991
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327
2-fluoro-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
CID 55869935
2-amino-N-(3-propan-2-yloxypropyl)benzamide
CID 61249223
2,4-difluoro-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide
CID 46536800
2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 40623473
N-[2-[2-[di(propan-2-yl)amino]ethylamino]-2-oxoethyl]-2-fluorobenzamide
CID 18160814
2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide
CID 2463726
2-fluoro-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
CID 115699827
2-anilino-N-(3-propan-2-yloxypropyl)acetamide
CID 39353530
2-bromo-6-fluoro-N-(3-propan-2-yloxypropyl)benzamide
CID 71977759

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide (CID 40628904) is 2-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide is CC(C)OCCCNC(=O)CNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide?
The InChIKey is QZWZCULPHDOTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-11(2)21-9-5-8-17-14(19)10-18-15(20)12-6-3-4-7-13(12)16/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide?
2-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 2-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide is sourced from PubChem (CID 40628904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).