3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide

C15H21F2NO2 — CID 61038654

IUPAC3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCCO)C(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO2/c1-11(2)18(8-3-9-19)15(20)7-5-12-4-6-13(16)14(17)10-12/h4,6,10-11,19H,3,5,7-9H2,1-2H3
InChIKeyDVEGQRJNGJXVBV-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.52
Rot. Bonds7

About 3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide

3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide (PubChem CID 61038654) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
PubChem CID61038654
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCCO)C(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO2/c1-11(2)18(8-3-9-19)15(20)7-5-12-4-6-13(16)14(17)10-12/h4,6,10-11,19H,3,5,7-9H2,1-2H3
InChIKeyDVEGQRJNGJXVBV-UHFFFAOYSA-N
XLogP2.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide (CID 61038654) is 3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide is CC(C)N(CCCO)C(=O)CCc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
The InChIKey is DVEGQRJNGJXVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-11(2)18(8-3-9-19)15(20)7-5-12-4-6-13(16)14(17)10-12/h4,6,10-11,19H,3,5,7-9H2,1-2H3.
What are the key properties of 3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide has a molecular weight of 285.33 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 61038654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).