3-[[(4-fluorophenyl)-phenylmethyl]amino]-2-hydroxypropanamide

C16H17FN2O2 — CID 106171119

IUPAC3-[[(4-fluorophenyl)-phenylmethyl]amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2/c17-13-8-6-12(7-9-13)15(11-4-2-1-3-5-11)19-10-14(20)16(18)21/h1-9,14-15,19-20H,10H2,(H2,18,21)
InChIKeyKILPYYLXQCHJRB-UHFFFAOYSA-N
MW288.32 g/mol
LogP1.35
Rot. Bonds6

About 3-[[(4-fluorophenyl)-phenylmethyl]amino]-2-hydroxypropanamide

3-[[(4-fluorophenyl)-phenylmethyl]amino]-2-hydroxypropanamide (PubChem CID 106171119) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-[[(4-fluorophenyl)-phenylmethyl]amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[[(4-fluorophenyl)-phenylmethyl]amino]-2-hydroxypropanamide
PubChem CID106171119
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-[[(4-fluorophenyl)-phenylmethyl]amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2/c17-13-8-6-12(7-9-13)15(11-4-2-1-3-5-11)19-10-14(20)16(18)21/h1-9,14-15,19-20H,10H2,(H2,18,21)
InChIKeyKILPYYLXQCHJRB-UHFFFAOYSA-N
XLogP1.35
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-[[(2-methylphenyl)-phenylmethyl]amino]propanamide
CID 106171878
3-(benzhydrylamino)-2-methylpropanamide
CID 43312171
N-[(4-fluorophenyl)-phenylmethyl]-2,2-dimethoxyethanamine
CID 60816952
3-[1-(3-fluorophenyl)propylamino]-2-hydroxypropanamide
CID 106170791
2-[[(4-fluorophenyl)-phenylmethyl]amino]propane-1,3-diol
CID 65312987
2,2,2-trifluoro-N-[(4-fluorophenyl)-phenylmethyl]ethanamine
CID 43185219
2-[[(S)-(4-fluorophenyl)-phenylmethyl]amino]-2-oxoacetic acid
CID 99784106
N-[(4-fluorophenyl)-phenylmethyl]-2-methylprop-2-en-1-amine
CID 115588694
3-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-phenylpropanoic acid
CID 106174790
2-(benzhydrylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide;oxalic acid
CID 42913580
(2S)-2-[2-(4-fluorophenyl)ethylamino]-2-phenylacetamide
CID 33406037
N-(2-chlorophenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60537351

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-fluorophenyl)-phenylmethyl]amino]-2-hydroxypropanamide?
The IUPAC name of 3-[[(4-fluorophenyl)-phenylmethyl]amino]-2-hydroxypropanamide (CID 106171119) is 3-[[(4-fluorophenyl)-phenylmethyl]amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[[(4-fluorophenyl)-phenylmethyl]amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[[(4-fluorophenyl)-phenylmethyl]amino]-2-hydroxypropanamide is NC(=O)C(O)CNC(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 3-[[(4-fluorophenyl)-phenylmethyl]amino]-2-hydroxypropanamide?
The InChIKey is KILPYYLXQCHJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-13-8-6-12(7-9-13)15(11-4-2-1-3-5-11)19-10-14(20)16(18)21/h1-9,14-15,19-20H,10H2,(H2,18,21).
What are the key properties of 3-[[(4-fluorophenyl)-phenylmethyl]amino]-2-hydroxypropanamide?
3-[[(4-fluorophenyl)-phenylmethyl]amino]-2-hydroxypropanamide has a molecular weight of 288.32 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-fluorophenyl)-phenylmethyl]amino]-2-hydroxypropanamide is sourced from PubChem (CID 106171119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).