N-cyclobutyl-3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)propanamide

C16H21F2NO2 — CID 102866294

IUPACN-cyclobutyl-3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)propanamide
SMILESO=C(CCc1ccc(F)c(F)c1)N(CCCO)C1CCC1
InChIInChI=1S/C16H21F2NO2/c17-14-7-5-12(11-15(14)18)6-8-16(21)19(9-2-10-20)13-3-1-4-13/h5,7,11,13,20H,1-4,6,8-10H2
InChIKeyOUCHVKPRKFHAOJ-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.66
Rot. Bonds7

About N-cyclobutyl-3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)propanamide

N-cyclobutyl-3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)propanamide (PubChem CID 102866294) has the molecular formula C16H21F2NO2 and a molecular weight of 297.34 g/mol. Its IUPAC name is N-cyclobutyl-3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)propanamide.

Molecular Properties

Compound NameN-cyclobutyl-3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)propanamide
PubChem CID102866294
Molecular FormulaC16H21F2NO2
Molecular Weight297.34 g/mol
Exact Mass297.15
IUPAC NameN-cyclobutyl-3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)propanamide
SMILESO=C(CCc1ccc(F)c(F)c1)N(CCCO)C1CCC1
InChIInChI=1S/C16H21F2NO2/c17-14-7-5-12(11-15(14)18)6-8-16(21)19(9-2-10-20)13-3-1-4-13/h5,7,11,13,20H,1-4,6,8-10H2
InChIKeyOUCHVKPRKFHAOJ-UHFFFAOYSA-N
XLogP2.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)propanamide?
The IUPAC name of N-cyclobutyl-3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)propanamide (CID 102866294) is N-cyclobutyl-3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)propanamide.
What is the SMILES notation for N-cyclobutyl-3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)propanamide?
The canonical SMILES for N-cyclobutyl-3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)propanamide is O=C(CCc1ccc(F)c(F)c1)N(CCCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)propanamide?
The InChIKey is OUCHVKPRKFHAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO2/c17-14-7-5-12(11-15(14)18)6-8-16(21)19(9-2-10-20)13-3-1-4-13/h5,7,11,13,20H,1-4,6,8-10H2.
What are the key properties of N-cyclobutyl-3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)propanamide?
N-cyclobutyl-3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)propanamide has a molecular weight of 297.34 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)propanamide is sourced from PubChem (CID 102866294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).