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

C18H18BrClN2O3 — CID 46862080

IUPACN-[(2S)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]-4-chloro-2-hydroxybenzamide
SMILESCC(C)[C@H](NC(=O)c1ccc(Cl)cc1O)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H18BrClN2O3/c1-10(2)16(18(25)21-13-6-3-11(19)4-7-13)22-17(24)14-8-5-12(20)9-15(14)23/h3-10,16,23H,1-2H3,(H,21,25)(H,22,24)/t16-/m0/s1
InChIKeyYHHXGQMUSFTPKD-INIZCTEOSA-N
MW425.71 g/mol
LogP4.20
Rot. Bonds5

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

N-[(2S)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]-4-chloro-2-hydroxybenzamide (PubChem CID 46862080) has the molecular formula C18H18BrClN2O3 and a molecular weight of 425.71 g/mol. Its IUPAC name is N-[(2S)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]-4-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]-4-chloro-2-hydroxybenzamide
PubChem CID46862080
Molecular FormulaC18H18BrClN2O3
Molecular Weight425.71 g/mol
Exact Mass424.02
IUPAC NameN-[(2S)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]-4-chloro-2-hydroxybenzamide
SMILESCC(C)[C@H](NC(=O)c1ccc(Cl)cc1O)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H18BrClN2O3/c1-10(2)16(18(25)21-13-6-3-11(19)4-7-13)22-17(24)14-8-5-12(20)9-15(14)23/h3-10,16,23H,1-2H3,(H,21,25)(H,22,24)/t16-/m0/s1
InChIKeyYHHXGQMUSFTPKD-INIZCTEOSA-N
XLogP4.20
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.71
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]-4-chloro-2-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide
CID 102165998
5-chloro-2-hydroxy-N-[(2S)-1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 46862079
5-chloro-N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-hydroxybenzamide
CID 46180343
2-acetamido-N-(4-bromophenyl)-3-methylbutanamide
CID 17391080
4-chloro-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 74292353
2-benzamido-N-[(2R)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 1340022
2-chloro-N-[(2S)-1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9210229
2,4-dichloro-N-[(2S)-1-(3-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9042478
N-[1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 2934696
4-chloro-N-[(2S)-3-methyl-1-oxo-1-(4-phenylanilino)butan-2-yl]benzamide
CID 2551732
2-bromo-N-[(2S)-1-(3,4-dichloroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2547276
2,4-dichloro-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 7613187

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]-4-chloro-2-hydroxybenzamide?
The IUPAC name of N-[(2S)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]-4-chloro-2-hydroxybenzamide (CID 46862080) is N-[(2S)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]-4-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-[(2S)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]-4-chloro-2-hydroxybenzamide?
The canonical SMILES for N-[(2S)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]-4-chloro-2-hydroxybenzamide is CC(C)[C@H](NC(=O)c1ccc(Cl)cc1O)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-[(2S)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]-4-chloro-2-hydroxybenzamide?
The InChIKey is YHHXGQMUSFTPKD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18BrClN2O3/c1-10(2)16(18(25)21-13-6-3-11(19)4-7-13)22-17(24)14-8-5-12(20)9-15(14)23/h3-10,16,23H,1-2H3,(H,21,25)(H,22,24)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]-4-chloro-2-hydroxybenzamide?
N-[(2S)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]-4-chloro-2-hydroxybenzamide has a molecular weight of 425.71 g/mol, XLogP of 4.20, 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-bromoanilino)-3-methyl-1-oxobutan-2-yl]-4-chloro-2-hydroxybenzamide is sourced from PubChem (CID 46862080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).