N-(3-bromophenyl)-2-hydroxy-N-methylpropanamide

C10H12BrNO2 — CID 115140581

IUPACN-(3-bromophenyl)-2-hydroxy-N-methylpropanamide
SMILESCC(O)C(=O)N(C)c1cccc(Br)c1
InChIInChI=1S/C10H12BrNO2/c1-7(13)10(14)12(2)9-5-3-4-8(11)6-9/h3-7,13H,1-2H3
InChIKeyBUGCPCBLMUHWAN-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.79
Rot. Bonds2

About N-(3-bromophenyl)-2-hydroxy-N-methylpropanamide

N-(3-bromophenyl)-2-hydroxy-N-methylpropanamide (PubChem CID 115140581) has the molecular formula C10H12BrNO2 and a molecular weight of 258.12 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-hydroxy-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-hydroxy-N-methylpropanamide
PubChem CID115140581
Molecular FormulaC10H12BrNO2
Molecular Weight258.12 g/mol
Exact Mass257.01
IUPAC NameN-(3-bromophenyl)-2-hydroxy-N-methylpropanamide
SMILESCC(O)C(=O)N(C)c1cccc(Br)c1
InChIInChI=1S/C10H12BrNO2/c1-7(13)10(14)12(2)9-5-3-4-8(11)6-9/h3-7,13H,1-2H3
InChIKeyBUGCPCBLMUHWAN-UHFFFAOYSA-N
XLogP1.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-N-methylcarbamoyl bromide
CID 115193496
2-(aminomethyl)-N-(3-bromophenyl)-N-methylbutanamide
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N-(3-bromophenyl)-N,2,2-trimethylpropanamide
CID 172560742
N-(3-bromophenyl)-N-methylprop-2-ynamide
CID 130659155
4-(3-bromo-N-methylanilino)-2-methyl-4-oxobutanoic acid
CID 115165040
N-(3-bromophenyl)-N-methylmorpholine-4-carboxamide
CID 66906368
3-[(3-bromophenyl)-methylcarbamoyl]benzoic acid
CID 115165495
4-amino-N-(3-bromophenyl)-N-methylbenzamide
CID 82094901
N-(3-bromophenyl)-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide
CID 115182178
N-(3-bromophenyl)-N-hydroxyacetamide
CID 3015973
methyl (Z)-2-(3-bromo-N-methylanilino)-3-methoxyprop-2-enoate
CID 146341710
4-(3-bromo-N-methylanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 115165263

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-hydroxy-N-methylpropanamide?
The IUPAC name of N-(3-bromophenyl)-2-hydroxy-N-methylpropanamide (CID 115140581) is N-(3-bromophenyl)-2-hydroxy-N-methylpropanamide.
What is the SMILES notation for N-(3-bromophenyl)-2-hydroxy-N-methylpropanamide?
The canonical SMILES for N-(3-bromophenyl)-2-hydroxy-N-methylpropanamide is CC(O)C(=O)N(C)c1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-hydroxy-N-methylpropanamide?
The InChIKey is BUGCPCBLMUHWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-7(13)10(14)12(2)9-5-3-4-8(11)6-9/h3-7,13H,1-2H3.
What are the key properties of N-(3-bromophenyl)-2-hydroxy-N-methylpropanamide?
N-(3-bromophenyl)-2-hydroxy-N-methylpropanamide has a molecular weight of 258.12 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-hydroxy-N-methylpropanamide is sourced from PubChem (CID 115140581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).