3-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)propanamide

C18H19F2NO2 — CID 111102768

IUPAC3-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)propanamide
SMILESO=C(CCc1ccc(F)c(F)c1)NCC(O)Cc1ccccc1
InChIInChI=1S/C18H19F2NO2/c19-16-8-6-14(11-17(16)20)7-9-18(23)21-12-15(22)10-13-4-2-1-3-5-13/h1-6,8,11,15,22H,7,9-10,12H2,(H,21,23)
InChIKeyMOOBFKQEVIUVAV-UHFFFAOYSA-N
MW319.35 g/mol
LogP2.62
Rot. Bonds7

About 3-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)propanamide

3-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)propanamide (PubChem CID 111102768) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)propanamide
PubChem CID111102768
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC Name3-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)propanamide
SMILESO=C(CCc1ccc(F)c(F)c1)NCC(O)Cc1ccccc1
InChIInChI=1S/C18H19F2NO2/c19-16-8-6-14(11-17(16)20)7-9-18(23)21-12-15(22)10-13-4-2-1-3-5-13/h1-6,8,11,15,22H,7,9-10,12H2,(H,21,23)
InChIKeyMOOBFKQEVIUVAV-UHFFFAOYSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[(2-hydroxy-3-phenylpropyl)amino]-3-oxopropyl]benzoic acid
CID 119184094
N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide
CID 110781032
N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)propanamide
CID 111102377
3-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylpentyl)propanamide
CID 111447050
3-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
CID 111784455
N-(2-hydroxy-3-phenylpropyl)hexanamide
CID 111102787
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-pyridin-3-ylpropanamide
CID 111102845
1-[(4-fluoro-3-methylphenyl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 110937008
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(3,4-difluorophenyl)propanamide
CID 46446929
3-(3,4-difluorophenyl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide
CID 55609022
N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylpropanamide
CID 93032888
2-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxy-3-phenylpropyl]acetamide
CID 98622782

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)propanamide (CID 111102768) is 3-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)propanamide is O=C(CCc1ccc(F)c(F)c1)NCC(O)Cc1ccccc1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)propanamide?
The InChIKey is MOOBFKQEVIUVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO2/c19-16-8-6-14(11-17(16)20)7-9-18(23)21-12-15(22)10-13-4-2-1-3-5-13/h1-6,8,11,15,22H,7,9-10,12H2,(H,21,23).
What are the key properties of 3-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)propanamide?
3-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)propanamide has a molecular weight of 319.35 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)propanamide is sourced from PubChem (CID 111102768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).