N-(3,3-difluoro-2-hydroxypropyl)-3-(4-methylphenyl)propanamide

C13H17F2NO2 — CID 113258582

IUPACN-(3,3-difluoro-2-hydroxypropyl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCC(O)C(F)F)cc1
InChIInChI=1S/C13H17F2NO2/c1-9-2-4-10(5-3-9)6-7-12(18)16-8-11(17)13(14)15/h2-5,11,13,17H,6-8H2,1H3,(H,16,18)
InChIKeyAPQKJUVJQYITQO-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.67
Rot. Bonds6

About N-(3,3-difluoro-2-hydroxypropyl)-3-(4-methylphenyl)propanamide

N-(3,3-difluoro-2-hydroxypropyl)-3-(4-methylphenyl)propanamide (PubChem CID 113258582) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-3-(4-methylphenyl)propanamide
PubChem CID113258582
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCC(O)C(F)F)cc1
InChIInChI=1S/C13H17F2NO2/c1-9-2-4-10(5-3-9)6-7-12(18)16-8-11(17)13(14)15/h2-5,11,13,17H,6-8H2,1H3,(H,16,18)
InChIKeyAPQKJUVJQYITQO-UHFFFAOYSA-N
XLogP1.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-difluoro-2-hydroxypropyl)-3-[4-(dimethylamino)phenyl]propanamide
CID 103770356
N-[(2R)-2-hydroxypropyl]-3-(4-methylphenyl)propanamide
CID 83032441
3-(4-methylphenyl)-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 110310348
N-(2-aminobutyl)-3-(4-methylphenyl)propanamide
CID 63733649
N-(3-amino-2-methylpropyl)-3-(4-methylphenyl)propanamide;hydrochloride
CID 119995634
N-(3,3-difluoro-2-hydroxypropyl)-3-pyridin-3-ylpropanamide
CID 103769874
3-(4-methylphenyl)-N-(2-phenylpropyl)propanamide
CID 133229339
N-(3,3-difluoro-2-hydroxypropyl)-3-(2-hydroxyphenyl)propanamide
CID 103770257
3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide
CID 110886635
2-[3-(4-methylphenyl)propanoylamino]acetic acid
CID 43354539
N-[2-[(3-amino-2-methylpropyl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
CID 119997514
2-(4-bromophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 103769732

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-(4-methylphenyl)propanamide (CID 113258582) is N-(3,3-difluoro-2-hydroxypropyl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NCC(O)C(F)F)cc1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-3-(4-methylphenyl)propanamide?
The InChIKey is APQKJUVJQYITQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-9-2-4-10(5-3-9)6-7-12(18)16-8-11(17)13(14)15/h2-5,11,13,17H,6-8H2,1H3,(H,16,18).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-3-(4-methylphenyl)propanamide?
N-(3,3-difluoro-2-hydroxypropyl)-3-(4-methylphenyl)propanamide has a molecular weight of 257.28 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 113258582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).