N-(3-aminopropyl)-5-bromo-2-hydroxy-N-methylbenzamide

C11H15BrN2O2 — CID 104872346

IUPACN-(3-aminopropyl)-5-bromo-2-hydroxy-N-methylbenzamide
SMILESCN(CCCN)C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C11H15BrN2O2/c1-14(6-2-5-13)11(16)9-7-8(12)3-4-10(9)15/h3-4,7,15H,2,5-6,13H2,1H3
InChIKeyPBDTWAKEEXWOBX-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.58
Rot. Bonds4

About N-(3-aminopropyl)-5-bromo-2-hydroxy-N-methylbenzamide

N-(3-aminopropyl)-5-bromo-2-hydroxy-N-methylbenzamide (PubChem CID 104872346) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-bromo-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-bromo-2-hydroxy-N-methylbenzamide
PubChem CID104872346
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC NameN-(3-aminopropyl)-5-bromo-2-hydroxy-N-methylbenzamide
SMILESCN(CCCN)C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C11H15BrN2O2/c1-14(6-2-5-13)11(16)9-7-8(12)3-4-10(9)15/h3-4,7,15H,2,5-6,13H2,1H3
InChIKeyPBDTWAKEEXWOBX-UHFFFAOYSA-N
XLogP1.58
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide
CID 107730306
N-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206606
4-bromo-N-[3-(dimethylamino)propyl]-2-hydroxy-N-methylbenzamide
CID 55228118
5-bromo-N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzamide
CID 63693697
5-bromo-2-hydroxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 35979056
N-(3-aminopropyl)-5-bromo-2-hydroxybenzamide
CID 104872204
5-bromo-N-butyl-N,2-dimethylbenzamide
CID 65306915
5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N-methylbenzamide
CID 103747554
5-bromo-N-butyl-2-chloro-N-methylbenzamide
CID 60653969
5-bromo-N-(5-bromopentyl)-N,2-dimethylbenzamide
CID 107206197
5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199883
5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide
CID 36553193

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-bromo-2-hydroxy-N-methylbenzamide?
The IUPAC name of N-(3-aminopropyl)-5-bromo-2-hydroxy-N-methylbenzamide (CID 104872346) is N-(3-aminopropyl)-5-bromo-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-5-bromo-2-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-5-bromo-2-hydroxy-N-methylbenzamide is CN(CCCN)C(=O)c1cc(Br)ccc1O.
What is the InChIKey of N-(3-aminopropyl)-5-bromo-2-hydroxy-N-methylbenzamide?
The InChIKey is PBDTWAKEEXWOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-14(6-2-5-13)11(16)9-7-8(12)3-4-10(9)15/h3-4,7,15H,2,5-6,13H2,1H3.
What are the key properties of N-(3-aminopropyl)-5-bromo-2-hydroxy-N-methylbenzamide?
N-(3-aminopropyl)-5-bromo-2-hydroxy-N-methylbenzamide has a molecular weight of 287.16 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-bromo-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 104872346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).