3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzamide

C16H17FN2O2 — CID 110928608

IUPAC3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzamide
SMILESNC(=O)c1cccc(CNCC(O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H17FN2O2/c17-14-6-4-12(5-7-14)15(20)10-19-9-11-2-1-3-13(8-11)16(18)21/h1-8,15,19-20H,9-10H2,(H2,18,21)
InChIKeyGUBAULPFGRRASB-UHFFFAOYSA-N
MW288.32 g/mol
LogP1.75
Rot. Bonds6

About 3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzamide

3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzamide (PubChem CID 110928608) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzamide
PubChem CID110928608
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzamide
SMILESNC(=O)c1cccc(CNCC(O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H17FN2O2/c17-14-6-4-12(5-7-14)15(20)10-19-9-11-2-1-3-13(8-11)16(18)21/h1-8,15,19-20H,9-10H2,(H2,18,21)
InChIKeyGUBAULPFGRRASB-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 107230540
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1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol
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(1S)-1-(4-fluorophenyl)-2-[(3-phenylmethoxyphenyl)methylamino]ethanol
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(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807
3-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzamide
CID 66089913
3-[(2-amino-5-fluoroanilino)methyl]benzamide
CID 123298867
3-[(2-cyanopropylamino)methyl]benzamide
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3-[(3-carbamoylphenyl)methylamino]propanoic acid
CID 43466251
3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]carbamoylamino]methyl]-N-propylbenzamide
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CID 62538937

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzamide?
The IUPAC name of 3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzamide (CID 110928608) is 3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzamide is NC(=O)c1cccc(CNCC(O)c2ccc(F)cc2)c1.
What is the InChIKey of 3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzamide?
The InChIKey is GUBAULPFGRRASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-14-6-4-12(5-7-14)15(20)10-19-9-11-2-1-3-13(8-11)16(18)21/h1-8,15,19-20H,9-10H2,(H2,18,21).
What are the key properties of 3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzamide?
3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzamide has a molecular weight of 288.32 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzamide is sourced from PubChem (CID 110928608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).