N-(4-bromo-5-chloronaphthalen-2-yl)-2-hydroxy-2-methylpropanamide

C14H13BrClNO2 — CID 167226007

IUPACN-(4-bromo-5-chloronaphthalen-2-yl)-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)Nc1cc(Br)c2c(Cl)cccc2c1
InChIInChI=1S/C14H13BrClNO2/c1-14(2,19)13(18)17-9-6-8-4-3-5-11(16)12(8)10(15)7-9/h3-7,19H,1-2H3,(H,17,18)
InChIKeyGTRZZRAZHSHMDT-UHFFFAOYSA-N
MW342.62 g/mol
LogP3.97
Rot. Bonds2

About N-(4-bromo-5-chloronaphthalen-2-yl)-2-hydroxy-2-methylpropanamide

N-(4-bromo-5-chloronaphthalen-2-yl)-2-hydroxy-2-methylpropanamide (PubChem CID 167226007) has the molecular formula C14H13BrClNO2 and a molecular weight of 342.62 g/mol. Its IUPAC name is N-(4-bromo-5-chloronaphthalen-2-yl)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-5-chloronaphthalen-2-yl)-2-hydroxy-2-methylpropanamide
PubChem CID167226007
Molecular FormulaC14H13BrClNO2
Molecular Weight342.62 g/mol
Exact Mass340.98
IUPAC NameN-(4-bromo-5-chloronaphthalen-2-yl)-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)Nc1cc(Br)c2c(Cl)cccc2c1
InChIInChI=1S/C14H13BrClNO2/c1-14(2,19)13(18)17-9-6-8-4-3-5-11(16)12(8)10(15)7-9/h3-7,19H,1-2H3,(H,17,18)
InChIKeyGTRZZRAZHSHMDT-UHFFFAOYSA-N
XLogP3.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-5-chloronaphthalen-2-yl)-2-hydroxy-2-methylpropanamide 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-[4-bromo-6-fluoro-5-[fluoro(dihydroxy)methoxy]naphthalen-2-yl]-2-hydroxy-2-methylpropanamide;2-methylpropane
CID 178101212
N-(3-acetamidophenyl)-2-hydroxy-2-methylpropanamide
CID 103429382
N-(3-bromo-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 103430147
N-[4,5-dichloro-2-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-2-hydroxy-2-methylpropanamide
CID 22287352
N-(3-bromo-2-iodophenyl)-2-hydroxy-2-methylpropanamide
CID 46915281
2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 71371552
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 103430139
N-(2-bromophenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968886
N-(3,5-dimethoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 104936417
N-(2-chloro-3-iodophenyl)-2-hydroxy-2-methylpropanamide
CID 53255142
N-(2-bromo-5-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 103430310
2-amino-3-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 115540020

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-5-chloronaphthalen-2-yl)-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-(4-bromo-5-chloronaphthalen-2-yl)-2-hydroxy-2-methylpropanamide (CID 167226007) is N-(4-bromo-5-chloronaphthalen-2-yl)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-(4-bromo-5-chloronaphthalen-2-yl)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-(4-bromo-5-chloronaphthalen-2-yl)-2-hydroxy-2-methylpropanamide is CC(C)(O)C(=O)Nc1cc(Br)c2c(Cl)cccc2c1.
What is the InChIKey of N-(4-bromo-5-chloronaphthalen-2-yl)-2-hydroxy-2-methylpropanamide?
The InChIKey is GTRZZRAZHSHMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2/c1-14(2,19)13(18)17-9-6-8-4-3-5-11(16)12(8)10(15)7-9/h3-7,19H,1-2H3,(H,17,18).
What are the key properties of N-(4-bromo-5-chloronaphthalen-2-yl)-2-hydroxy-2-methylpropanamide?
N-(4-bromo-5-chloronaphthalen-2-yl)-2-hydroxy-2-methylpropanamide has a molecular weight of 342.62 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-5-chloronaphthalen-2-yl)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 167226007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).