(2R)-N-[(2S)-3-(3-fluoroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide

C16H23FN2O4 — CID 156785145

IUPAC(2R)-N-[(2S)-3-(3-fluoroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
SMILESC[C@@H](CNC(=O)[C@H](O)C(C)(C)CO)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H23FN2O4/c1-10(8-18-15(23)13(21)16(2,3)9-20)14(22)19-12-6-4-5-11(17)7-12/h4-7,10,13,20-21H,8-9H2,1-3H3,(H,18,23)(H,19,22)/t10-,13-/m0/s1
InChIKeySKDIEKREMJBZLP-GWCFXTLKSA-N
MW326.37 g/mol
LogP0.90
Rot. Bonds7

About (2R)-N-[(2S)-3-(3-fluoroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide

(2R)-N-[(2S)-3-(3-fluoroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide (PubChem CID 156785145) has the molecular formula C16H23FN2O4 and a molecular weight of 326.37 g/mol. Its IUPAC name is (2R)-N-[(2S)-3-(3-fluoroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-3-(3-fluoroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
PubChem CID156785145
Molecular FormulaC16H23FN2O4
Molecular Weight326.37 g/mol
Exact Mass326.16
IUPAC Name(2R)-N-[(2S)-3-(3-fluoroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
SMILESC[C@@H](CNC(=O)[C@H](O)C(C)(C)CO)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H23FN2O4/c1-10(8-18-15(23)13(21)16(2,3)9-20)14(22)19-12-6-4-5-11(17)7-12/h4-7,10,13,20-21H,8-9H2,1-3H3,(H,18,23)(H,19,22)/t10-,13-/m0/s1
InChIKeySKDIEKREMJBZLP-GWCFXTLKSA-N
XLogP0.90
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[(2S)-3-(3-fluoroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide with MolForge

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Related Compounds

(2R)-N-[(2S)-3-(3-chloroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 156785151
6-amino-N-(3-fluorophenyl)-2-methylheptanamide
CID 65292739
1-(3-fluorophenyl)-3-(2-methylsulfanylpropyl)urea
CID 71844690
1-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(3-fluorophenyl)urea
CID 76953085
N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide
CID 47192808
(2R)-N-(3-fluorophenyl)-2-phenylpropanamide
CID 97038180
N-(3-fluorophenyl)-2-phenylpropanamide
CID 70678315
(2S)-N-(3-fluorophenyl)-2-methylsulfonylpropanamide
CID 51947115
N-(3-fluorophenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880177
ethyl 2-[(3-fluorophenyl)carbamoyl]-3,3-dimethylbutanoate
CID 116537667
2-(3-fluoroanilino)-2,4-dimethylpentan-1-ol
CID 61048497
(2R)-2-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]propanamide
CID 119308751

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-3-(3-fluoroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The IUPAC name of (2R)-N-[(2S)-3-(3-fluoroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide (CID 156785145) is (2R)-N-[(2S)-3-(3-fluoroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-N-[(2S)-3-(3-fluoroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-N-[(2S)-3-(3-fluoroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide is C[C@@H](CNC(=O)[C@H](O)C(C)(C)CO)C(=O)Nc1cccc(F)c1.
What is the InChIKey of (2R)-N-[(2S)-3-(3-fluoroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The InChIKey is SKDIEKREMJBZLP-GWCFXTLKSA-N. The full InChI is InChI=1S/C16H23FN2O4/c1-10(8-18-15(23)13(21)16(2,3)9-20)14(22)19-12-6-4-5-11(17)7-12/h4-7,10,13,20-21H,8-9H2,1-3H3,(H,18,23)(H,19,22)/t10-,13-/m0/s1.
What are the key properties of (2R)-N-[(2S)-3-(3-fluoroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
(2R)-N-[(2S)-3-(3-fluoroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide has a molecular weight of 326.37 g/mol, XLogP of 0.90, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-3-(3-fluoroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide is sourced from PubChem (CID 156785145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).