3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide

C13H17F2NO2 — CID 54917139

IUPAC3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CCCO)C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C13H17F2NO2/c1-9(2)16(4-3-5-17)13(18)10-6-11(14)8-12(15)7-10/h6-9,17H,3-5H2,1-2H3
InChIKeyDKXRVHFTTSYVGM-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.20
Rot. Bonds5

About 3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide

3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide (PubChem CID 54917139) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
PubChem CID54917139
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CCCO)C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C13H17F2NO2/c1-9(2)16(4-3-5-17)13(18)10-6-11(14)8-12(15)7-10/h6-9,17H,3-5H2,1-2H3
InChIKeyDKXRVHFTTSYVGM-UHFFFAOYSA-N
XLogP2.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 63186164
4-bromo-N-(3-hydroxypropyl)-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 61039164
2,3,4,5,6-pentafluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61040258
N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide
CID 61040122
2-bromo-4-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61038650
2-bromo-5-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61038774
N-(3-hydroxypropyl)-5-iodo-N-propan-2-ylthiophene-3-carboxamide
CID 79693867
4-carbamothioyl-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 54999256
N-(3-bromopropyl)-3-fluoro-N-propan-2-ylbenzamide
CID 80661580
2-[(3-fluoro-5-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 112700735
3-amino-4-bromo-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61140432
N-(3-hydroxypropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide
CID 54916380

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide?
The IUPAC name of 3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide (CID 54917139) is 3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide is CC(C)N(CCCO)C(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide?
The InChIKey is DKXRVHFTTSYVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-9(2)16(4-3-5-17)13(18)10-6-11(14)8-12(15)7-10/h6-9,17H,3-5H2,1-2H3.
What are the key properties of 3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide?
3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide has a molecular weight of 257.28 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 54917139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).