N-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide

C17H14F4N2O3 — CID 171688977

IUPACN-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide
SMILESNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C17H14F4N2O3/c18-13-6-3-10(8-12(13)17(19,20)21)16(26)23-14(15(22)25)7-9-1-4-11(24)5-2-9/h1-6,8,14,24H,7H2,(H2,22,25)(H,23,26)/t14-/m1/s1
InChIKeyPYAGAZACTBJHBA-CQSZACIVSA-N
MW370.30 g/mol
LogP2.38
Rot. Bonds5

About N-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide

N-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 171688977) has the molecular formula C17H14F4N2O3 and a molecular weight of 370.30 g/mol. Its IUPAC name is N-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide
PubChem CID171688977
Molecular FormulaC17H14F4N2O3
Molecular Weight370.30 g/mol
Exact Mass370.09
IUPAC NameN-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide
SMILESNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C17H14F4N2O3/c18-13-6-3-10(8-12(13)17(19,20)21)16(26)23-14(15(22)25)7-9-1-4-11(24)5-2-9/h1-6,8,14,24H,7H2,(H2,22,25)(H,23,26)/t14-/m1/s1
InChIKeyPYAGAZACTBJHBA-CQSZACIVSA-N
XLogP2.38
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.30
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]thiourea
CID 65216860
N-[(1S)-1-[4-[(dimethylamino)methyl]phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 58898003
N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-(methanesulfonamido)benzamide
CID 171697813
2-[[4-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 3417680
N-[2-(carbamoylamino)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 78993906
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide
CID 52766251
3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanamide
CID 71080092
[4-[(2S)-2-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-3-oxo-3-(prop-2-ynylamino)propyl]phenyl] ethenesulfonate
CID 72836913
4-fluoro-N-(1-iodo-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 107859911
4-fluoro-N-hexan-3-yl-3-(trifluoromethyl)benzamide
CID 62045877
N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-methylprop-2-enamide
CID 19980707
2-chloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide
CID 104513169

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide (CID 171688977) is N-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide is NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is PYAGAZACTBJHBA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H14F4N2O3/c18-13-6-3-10(8-12(13)17(19,20)21)16(26)23-14(15(22)25)7-9-1-4-11(24)5-2-9/h1-6,8,14,24H,7H2,(H2,22,25)(H,23,26)/t14-/m1/s1.
What are the key properties of N-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide?
N-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 370.30 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 171688977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).