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

C16H23ClN2O4 — CID 156785151

IUPAC(2R)-N-[(2S)-3-(3-chloroanilino)-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(Cl)c1
InChIInChI=1S/C16H23ClN2O4/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
InChIKeyLUKSSNNPCVACKB-GWCFXTLKSA-N
MW342.82 g/mol
LogP1.41
Rot. Bonds7

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

(2R)-N-[(2S)-3-(3-chloroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide (PubChem CID 156785151) has the molecular formula C16H23ClN2O4 and a molecular weight of 342.82 g/mol. Its IUPAC name is (2R)-N-[(2S)-3-(3-chloroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-3-(3-chloroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
PubChem CID156785151
Molecular FormulaC16H23ClN2O4
Molecular Weight342.82 g/mol
Exact Mass342.13
IUPAC Name(2R)-N-[(2S)-3-(3-chloroanilino)-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(Cl)c1
InChIInChI=1S/C16H23ClN2O4/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
InChIKeyLUKSSNNPCVACKB-GWCFXTLKSA-N
XLogP1.41
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.82
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

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Related Compounds

(2R)-N-[(2S)-3-(3-fluoroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 156785145
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
(2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 56610654
(2S)-2-chloro-N-(3-chlorophenyl)propanamide
CID 2404784
(2R)-N-[(2R)-4-(5-chloro-2-fluorophenyl)-2-methyl-4-oxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 163573593
(2R,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide
CID 7385866
(2S,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide
CID 7385868
1-(3-chlorophenyl)-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea
CID 96504157
N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809062
N'-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
CID 111491126
(2S)-2-anilino-N-(3-chlorophenyl)propanamide
CID 7928382
(2R)-1-(3-chloroanilino)propan-2-ol
CID 39237835

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-3-(3-chloroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The IUPAC name of (2R)-N-[(2S)-3-(3-chloroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide (CID 156785151) is (2R)-N-[(2S)-3-(3-chloroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-N-[(2S)-3-(3-chloroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-N-[(2S)-3-(3-chloroanilino)-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(Cl)c1.
What is the InChIKey of (2R)-N-[(2S)-3-(3-chloroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The InChIKey is LUKSSNNPCVACKB-GWCFXTLKSA-N. The full InChI is InChI=1S/C16H23ClN2O4/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-chloroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
(2R)-N-[(2S)-3-(3-chloroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide has a molecular weight of 342.82 g/mol, XLogP of 1.41, 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-chloroanilino)-2-methyl-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide is sourced from PubChem (CID 156785151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).