3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-(2-hydroxyacetyl)benzamide

C22H17F2NO3 — CID 58531415

IUPAC3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-(2-hydroxyacetyl)benzamide
SMILESO=C(CO)c1cc(C(=O)NCc2ccc(F)cc2)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C22H17F2NO3/c23-19-5-1-14(2-6-19)12-25-22(28)18-10-16(9-17(11-18)21(27)13-26)15-3-7-20(24)8-4-15/h1-11,26H,12-13H2,(H,25,28)
InChIKeyAQWDQQHYMDWGGM-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.74
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-(2-hydroxyacetyl)benzamide

3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-(2-hydroxyacetyl)benzamide (PubChem CID 58531415) has the molecular formula C22H17F2NO3 and a molecular weight of 381.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-(2-hydroxyacetyl)benzamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-(2-hydroxyacetyl)benzamide
PubChem CID58531415
Molecular FormulaC22H17F2NO3
Molecular Weight381.38 g/mol
Exact Mass381.12
IUPAC Name3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-(2-hydroxyacetyl)benzamide
SMILESO=C(CO)c1cc(C(=O)NCc2ccc(F)cc2)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C22H17F2NO3/c23-19-5-1-14(2-6-19)12-25-22(28)18-10-16(9-17(11-18)21(27)13-26)15-3-7-20(24)8-4-15/h1-11,26H,12-13H2,(H,25,28)
InChIKeyAQWDQQHYMDWGGM-UHFFFAOYSA-N
XLogP3.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[(2S,3R)-4-(benzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-5-methyl-1-N,1-N-dipropylbenzene-1,3-dicarboxamide
CID 16109352
4-fluoro-N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide
CID 3101991
4-fluoro-N-(1-hydroxy-2-oxo-2-phenylethyl)benzamide
CID 3583645
N1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide
CID 10120976
(E)-3-[3-[3-(hydroxymethyl)phenyl]-5-(2-phenylethylcarbamoyl)phenyl]prop-2-enoic acid
CID 135304832
1-N-[(2S,3R)-4-[2-(2-fluorophenyl)propan-2-ylamino]-3-hydroxy-1-phenylbutan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 71520674
1-N-[(2S,3R)-4-[2-(4-fluorophenyl)propan-2-ylamino]-3-hydroxy-1-phenylbutan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 71520762
1-N-[(2S,3R)-4-[2-(3-fluorophenyl)propan-2-ylamino]-3-hydroxy-1-phenylbutan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 71520864
N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]-3-(trifluoromethyl)benzamide
CID 71716996
5-(hydroxymethyl)-1-N,3-N-bis[[3-(trifluoromethyl)phenyl]methyl]benzene-1,3-dicarboxamide
CID 44185863
2,6-difluoro-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 56765266
6-fluoro-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-tetralin-1-carboxamide
CID 86580227

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-(2-hydroxyacetyl)benzamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-(2-hydroxyacetyl)benzamide (CID 58531415) is 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-(2-hydroxyacetyl)benzamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-(2-hydroxyacetyl)benzamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-(2-hydroxyacetyl)benzamide is O=C(CO)c1cc(C(=O)NCc2ccc(F)cc2)cc(-c2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-(2-hydroxyacetyl)benzamide?
The InChIKey is AQWDQQHYMDWGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2NO3/c23-19-5-1-14(2-6-19)12-25-22(28)18-10-16(9-17(11-18)21(27)13-26)15-3-7-20(24)8-4-15/h1-11,26H,12-13H2,(H,25,28).
What are the key properties of 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-(2-hydroxyacetyl)benzamide?
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-(2-hydroxyacetyl)benzamide has a molecular weight of 381.38 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-(2-hydroxyacetyl)benzamide is sourced from PubChem (CID 58531415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).