2,3-difluoro-N-(2-hydroxy-3-phenylpropyl)benzamide

C16H15F2NO2 — CID 111102632

IUPAC2,3-difluoro-N-(2-hydroxy-3-phenylpropyl)benzamide
SMILESO=C(NCC(O)Cc1ccccc1)c1cccc(F)c1F
InChIInChI=1S/C16H15F2NO2/c17-14-8-4-7-13(15(14)18)16(21)19-10-12(20)9-11-5-2-1-3-6-11/h1-8,12,20H,9-10H2,(H,19,21)
InChIKeyBVXLHQJYXNYSJS-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.30
Rot. Bonds5

About 2,3-difluoro-N-(2-hydroxy-3-phenylpropyl)benzamide

2,3-difluoro-N-(2-hydroxy-3-phenylpropyl)benzamide (PubChem CID 111102632) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2,3-difluoro-N-(2-hydroxy-3-phenylpropyl)benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-(2-hydroxy-3-phenylpropyl)benzamide
PubChem CID111102632
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2,3-difluoro-N-(2-hydroxy-3-phenylpropyl)benzamide
SMILESO=C(NCC(O)Cc1ccccc1)c1cccc(F)c1F
InChIInChI=1S/C16H15F2NO2/c17-14-8-4-7-13(15(14)18)16(21)19-10-12(20)9-11-5-2-1-3-6-11/h1-8,12,20H,9-10H2,(H,19,21)
InChIKeyBVXLHQJYXNYSJS-UHFFFAOYSA-N
XLogP2.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 56765281
2,4-dichloro-5-fluoro-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 111102414
2-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxy-3-phenylpropyl]acetamide
CID 98622782
2,5-dichloro-N-(2-hydroxy-3-phenylpropyl)thiophene-3-carboxamide
CID 111102459
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
N-(2-hydroxy-3-phenylpropyl)-2,5-dimethylfuran-3-carboxamide
CID 90534310
5-(4-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)-1H-pyrazole-4-carboxamide
CID 111102820
1-(3-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)cyclopropane-1-carboxamide
CID 111386384
3-fluoro-N-(2-hydroxy-3-phenylpropyl)-4-methoxybenzamide
CID 86264345
2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
2,3-difluoro-N-[2-methyl-3-(methylamino)propyl]benzamide;hydrochloride
CID 91645374
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 111452346

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(2-hydroxy-3-phenylpropyl)benzamide?
The IUPAC name of 2,3-difluoro-N-(2-hydroxy-3-phenylpropyl)benzamide (CID 111102632) is 2,3-difluoro-N-(2-hydroxy-3-phenylpropyl)benzamide.
What is the SMILES notation for 2,3-difluoro-N-(2-hydroxy-3-phenylpropyl)benzamide?
The canonical SMILES for 2,3-difluoro-N-(2-hydroxy-3-phenylpropyl)benzamide is O=C(NCC(O)Cc1ccccc1)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(2-hydroxy-3-phenylpropyl)benzamide?
The InChIKey is BVXLHQJYXNYSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c17-14-8-4-7-13(15(14)18)16(21)19-10-12(20)9-11-5-2-1-3-6-11/h1-8,12,20H,9-10H2,(H,19,21).
What are the key properties of 2,3-difluoro-N-(2-hydroxy-3-phenylpropyl)benzamide?
2,3-difluoro-N-(2-hydroxy-3-phenylpropyl)benzamide has a molecular weight of 291.30 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(2-hydroxy-3-phenylpropyl)benzamide is sourced from PubChem (CID 111102632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).