N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide

C18H19ClN2O3 — CID 102165998

IUPACN-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1O)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-11(2)16(18(24)20-13-9-7-12(19)8-10-13)21-17(23)14-5-3-4-6-15(14)22/h3-11,16,22H,1-2H3,(H,20,24)(H,21,23)/t16-/m0/s1
InChIKeyXJEYRJOUXBZRSU-INIZCTEOSA-N
MW346.81 g/mol
LogP3.44
Rot. Bonds5

About N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide

N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide (PubChem CID 102165998) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide
PubChem CID102165998
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1O)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-11(2)16(18(24)20-13-9-7-12(19)8-10-13)21-17(23)14-5-3-4-6-15(14)22/h3-11,16,22H,1-2H3,(H,20,24)(H,21,23)/t16-/m0/s1
InChIKeyXJEYRJOUXBZRSU-INIZCTEOSA-N
XLogP3.44
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]-4-chloro-2-hydroxybenzamide
CID 46862080
N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 2666159
2-chloro-N-[(2S)-1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9210229
5-chloro-N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide
CID 46180343
5-chloro-2-hydroxy-N-[(2S)-1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 46862079
4-chloro-N-[(2S)-3-methyl-1-oxo-1-(4-phenylanilino)butan-2-yl]benzamide
CID 2551732
N-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 3385077
2-chloro-N-[(2S)-3-methyl-1-(4-methylsulfanylanilino)-1-oxobutan-2-yl]benzamide
CID 9153625
2-fluoro-N-[(2S)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 2664800
4-chloro-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 74292353
2-methyl-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 51149358
N-[1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 2934696

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide?
The IUPAC name of N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide (CID 102165998) is N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide.
What is the SMILES notation for N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide?
The canonical SMILES for N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide is CC(C)[C@H](NC(=O)c1ccccc1O)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide?
The InChIKey is XJEYRJOUXBZRSU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-11(2)16(18(24)20-13-9-7-12(19)8-10-13)21-17(23)14-5-3-4-6-15(14)22/h3-11,16,22H,1-2H3,(H,20,24)(H,21,23)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide?
N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide has a molecular weight of 346.81 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide is sourced from PubChem (CID 102165998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).