N-[(4-bromophenyl)methyl]-2-hydroxy-2-methylpropanamide

C11H14BrNO2 — CID 104936890

IUPACN-[(4-bromophenyl)methyl]-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO2/c1-11(2,15)10(14)13-7-8-3-5-9(12)6-4-8/h3-6,15H,7H2,1-2H3,(H,13,14)
InChIKeyPNDFWLXDRDNTJX-UHFFFAOYSA-N
MW272.14 g/mol
LogP1.84
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-2-hydroxy-2-methylpropanamide

N-[(4-bromophenyl)methyl]-2-hydroxy-2-methylpropanamide (PubChem CID 104936890) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-hydroxy-2-methylpropanamide
PubChem CID104936890
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC NameN-[(4-bromophenyl)methyl]-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO2/c1-11(2,15)10(14)13-7-8-3-5-9(12)6-4-8/h3-6,15H,7H2,1-2H3,(H,13,14)
InChIKeyPNDFWLXDRDNTJX-UHFFFAOYSA-N
XLogP1.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(4-bromophenyl)methyl]-2-methylpropanamide
CID 116816881
2-amino-N-[(4-bromophenyl)methyl]-2-ethylbutanamide
CID 79810288
N-[(4-butan-2-ylphenyl)methyl]-2-hydroxy-2-methylpropanamide
CID 115178737
N-benzyl-2-(4-bromophenyl)-2-methylpropanamide
CID 134025593
(2R)-2-amino-N-[(4-bromophenyl)methyl]-3,3-dimethylbutanamide
CID 103928385
N-[(4-bromophenyl)methyl]butanamide
CID 22503328
2-[(4-bromophenyl)methylamino]-2-oxoacetic acid;ethane
CID 145068790
5-[(4-bromophenyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934888
2-hydroxy-2-methyl-N-[(6-methylnaphthalen-2-yl)methyl]propanamide
CID 115178810
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
1-[(4-bromophenyl)methyl]-3-(4-tert-butylphenyl)urea
CID 108884917
2-hydroxy-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide
CID 106509800

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-hydroxy-2-methylpropanamide (CID 104936890) is N-[(4-bromophenyl)methyl]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-hydroxy-2-methylpropanamide is CC(C)(O)C(=O)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-hydroxy-2-methylpropanamide?
The InChIKey is PNDFWLXDRDNTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-11(2,15)10(14)13-7-8-3-5-9(12)6-4-8/h3-6,15H,7H2,1-2H3,(H,13,14).
What are the key properties of N-[(4-bromophenyl)methyl]-2-hydroxy-2-methylpropanamide?
N-[(4-bromophenyl)methyl]-2-hydroxy-2-methylpropanamide has a molecular weight of 272.14 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 104936890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).