N-(2,5-difluorophenyl)-3-[(2-hydroxy-3-phenylpropyl)amino]propanamide

C18H20F2N2O2 — CID 50960253

IUPACN-(2,5-difluorophenyl)-3-[(2-hydroxy-3-phenylpropyl)amino]propanamide
SMILESO=C(CCNCC(O)Cc1ccccc1)Nc1cc(F)ccc1F
InChIInChI=1S/C18H20F2N2O2/c19-14-6-7-16(20)17(11-14)22-18(24)8-9-21-12-15(23)10-13-4-2-1-3-5-13/h1-7,11,15,21,23H,8-10,12H2,(H,22,24)
InChIKeyJQCYCJDNWXJAHR-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.49
Rot. Bonds8

About N-(2,5-difluorophenyl)-3-[(2-hydroxy-3-phenylpropyl)amino]propanamide

N-(2,5-difluorophenyl)-3-[(2-hydroxy-3-phenylpropyl)amino]propanamide (PubChem CID 50960253) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-3-[(2-hydroxy-3-phenylpropyl)amino]propanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-3-[(2-hydroxy-3-phenylpropyl)amino]propanamide
PubChem CID50960253
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC NameN-(2,5-difluorophenyl)-3-[(2-hydroxy-3-phenylpropyl)amino]propanamide
SMILESO=C(CCNCC(O)Cc1ccccc1)Nc1cc(F)ccc1F
InChIInChI=1S/C18H20F2N2O2/c19-14-6-7-16(20)17(11-14)22-18(24)8-9-21-12-15(23)10-13-4-2-1-3-5-13/h1-7,11,15,21,23H,8-10,12H2,(H,22,24)
InChIKeyJQCYCJDNWXJAHR-UHFFFAOYSA-N
XLogP2.49
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-difluorophenyl)-3-hydroxypropanamide
CID 68503422
N-[4-(2,5-difluoroanilino)-4-oxobutyl]benzamide
CID 39753880
1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 111118085
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2,5-difluorophenyl)acetamide
CID 8902726
3-amino-N-[5-fluoro-2-[(2-phenylacetyl)amino]phenyl]propanamide
CID 92944450
3-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)propanamide
CID 111102768
N-(2,5-difluorophenyl)-2-[N-(2-hydroxybutyl)anilino]acetamide
CID 110919043
2-[benzyl(ethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 8541615
5-bromo-N-(2,5-difluorophenyl)pentanamide
CID 103601723
5-chloro-N-(2,5-difluorophenyl)pentanamide
CID 28971528
N-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-2-phenylacetamide
CID 87006955
3-(4-fluorophenyl)-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]propanamide
CID 87006959

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-3-[(2-hydroxy-3-phenylpropyl)amino]propanamide?
The IUPAC name of N-(2,5-difluorophenyl)-3-[(2-hydroxy-3-phenylpropyl)amino]propanamide (CID 50960253) is N-(2,5-difluorophenyl)-3-[(2-hydroxy-3-phenylpropyl)amino]propanamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-3-[(2-hydroxy-3-phenylpropyl)amino]propanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-3-[(2-hydroxy-3-phenylpropyl)amino]propanamide is O=C(CCNCC(O)Cc1ccccc1)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-3-[(2-hydroxy-3-phenylpropyl)amino]propanamide?
The InChIKey is JQCYCJDNWXJAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c19-14-6-7-16(20)17(11-14)22-18(24)8-9-21-12-15(23)10-13-4-2-1-3-5-13/h1-7,11,15,21,23H,8-10,12H2,(H,22,24).
What are the key properties of N-(2,5-difluorophenyl)-3-[(2-hydroxy-3-phenylpropyl)amino]propanamide?
N-(2,5-difluorophenyl)-3-[(2-hydroxy-3-phenylpropyl)amino]propanamide has a molecular weight of 334.37 g/mol, XLogP of 2.49, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-3-[(2-hydroxy-3-phenylpropyl)amino]propanamide is sourced from PubChem (CID 50960253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).