2-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxypropanamide

C17H20FN3O2 — CID 141192165

IUPAC2-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxypropanamide
SMILESNC(=O)C(CO)NCc1ccc(NCc2cccc(F)c2)cc1
InChIInChI=1S/C17H20FN3O2/c18-14-3-1-2-13(8-14)10-20-15-6-4-12(5-7-15)9-21-16(11-22)17(19)23/h1-8,16,20-22H,9-11H2,(H2,19,23)
InChIKeyAOEBETKITOPJFG-UHFFFAOYSA-N
MW317.36 g/mol
LogP1.37
Rot. Bonds8

About 2-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxypropanamide

2-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxypropanamide (PubChem CID 141192165) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxypropanamide.

Molecular Properties

Compound Name2-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxypropanamide
PubChem CID141192165
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name2-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxypropanamide
SMILESNC(=O)C(CO)NCc1ccc(NCc2cccc(F)c2)cc1
InChIInChI=1S/C17H20FN3O2/c18-14-3-1-2-13(8-14)10-20-15-6-4-12(5-7-15)9-21-16(11-22)17(19)23/h1-8,16,20-22H,9-11H2,(H2,19,23)
InChIKeyAOEBETKITOPJFG-UHFFFAOYSA-N
XLogP1.37
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[3-(3-fluorophenyl)propoxy]phenyl]methylamino]-3-hydroxypropanamide
CID 19388171
2-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]-2-phenylacetamide;methanesulfonic acid
CID 87877252
[4-[(3-fluorophenyl)methylamino]phenyl]urea
CID 43744874
2-(3-fluoroanilino)-3-hydroxypropanamide
CID 104711180
1-[4-[(3-fluorophenyl)methylamino]phenyl]-3-methylurea
CID 43744329
N-[(3-fluorophenyl)methyl]-4-methylaniline
CID 23255338
N-[(3-fluorophenyl)methyl]-4-propylaniline
CID 29045443
2-[(3-fluorophenyl)methylamino]propanoic acid
CID 16768986
2-[(3-fluorophenyl)methylamino]-3-(4-hydroxyphenyl)propanoic acid
CID 82364596
(2S)-2-[[4-(3-fluorophenyl)phenyl]methylamino]propanamide
CID 121266382
2-[[4-[(2-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxy-N-methylpropanamide
CID 141192167
(2R)-2-[(3-fluorophenyl)methylamino]-N-methylpropanamide
CID 28970574

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxypropanamide?
The IUPAC name of 2-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxypropanamide (CID 141192165) is 2-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxypropanamide.
What is the SMILES notation for 2-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxypropanamide?
The canonical SMILES for 2-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxypropanamide is NC(=O)C(CO)NCc1ccc(NCc2cccc(F)c2)cc1.
What is the InChIKey of 2-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxypropanamide?
The InChIKey is AOEBETKITOPJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c18-14-3-1-2-13(8-14)10-20-15-6-4-12(5-7-15)9-21-16(11-22)17(19)23/h1-8,16,20-22H,9-11H2,(H2,19,23).
What are the key properties of 2-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxypropanamide?
2-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxypropanamide has a molecular weight of 317.36 g/mol, XLogP of 1.37, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxypropanamide is sourced from PubChem (CID 141192165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).