N-(2-bromopropyl)-2-hydroxy-N,3-dimethylbenzamide

C12H16BrNO2 — CID 80666341

IUPACN-(2-bromopropyl)-2-hydroxy-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)CC(C)Br)c1O
InChIInChI=1S/C12H16BrNO2/c1-8-5-4-6-10(11(8)15)12(16)14(3)7-9(2)13/h4-6,9,15H,7H2,1-3H3
InChIKeyAJTUPWGXJIAULR-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.56
Rot. Bonds3

About N-(2-bromopropyl)-2-hydroxy-N,3-dimethylbenzamide

N-(2-bromopropyl)-2-hydroxy-N,3-dimethylbenzamide (PubChem CID 80666341) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-(2-bromopropyl)-2-hydroxy-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-2-hydroxy-N,3-dimethylbenzamide
PubChem CID80666341
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-(2-bromopropyl)-2-hydroxy-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)CC(C)Br)c1O
InChIInChI=1S/C12H16BrNO2/c1-8-5-4-6-10(11(8)15)12(16)14(3)7-9(2)13/h4-6,9,15H,7H2,1-3H3
InChIKeyAJTUPWGXJIAULR-UHFFFAOYSA-N
XLogP2.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(2-bromopropyl)-N,2-dimethylbenzamide
CID 80666003
N-(1-chloropropan-2-yl)-2-hydroxy-N,3-dimethylbenzamide
CID 104555728
N-(3-bromobutyl)-2,3-dihydroxy-N-methylbenzamide
CID 114345365
2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide
CID 43430193
N-ethyl-2-hydroxy-3-methyl-N-propan-2-ylbenzamide
CID 43266066
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbenzamide
CID 61044662
N-(2-bromopropyl)-N-methyl-2-(trifluoromethyl)benzamide
CID 80665083
N-(2-bromopropyl)-3-hydroxy-N-methylbenzamide
CID 80665697
3-hydroxy-N,2-dimethyl-N-(2-methylpropyl)benzamide
CID 82829951
N-(2-bromopropyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107016757
2-hydroxy-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63211055
N-(2-bromopropyl)-4-chloro-2-hydroxy-N-methylbenzamide
CID 80666240

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-2-hydroxy-N,3-dimethylbenzamide?
The IUPAC name of N-(2-bromopropyl)-2-hydroxy-N,3-dimethylbenzamide (CID 80666341) is N-(2-bromopropyl)-2-hydroxy-N,3-dimethylbenzamide.
What is the SMILES notation for N-(2-bromopropyl)-2-hydroxy-N,3-dimethylbenzamide?
The canonical SMILES for N-(2-bromopropyl)-2-hydroxy-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)CC(C)Br)c1O.
What is the InChIKey of N-(2-bromopropyl)-2-hydroxy-N,3-dimethylbenzamide?
The InChIKey is AJTUPWGXJIAULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-8-5-4-6-10(11(8)15)12(16)14(3)7-9(2)13/h4-6,9,15H,7H2,1-3H3.
What are the key properties of N-(2-bromopropyl)-2-hydroxy-N,3-dimethylbenzamide?
N-(2-bromopropyl)-2-hydroxy-N,3-dimethylbenzamide has a molecular weight of 286.17 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-2-hydroxy-N,3-dimethylbenzamide is sourced from PubChem (CID 80666341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).