3-amino-5-bromo-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide

C14H21BrN2O2 — CID 106289286

IUPAC3-amino-5-bromo-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
SMILESCCCC(C)(O)CNC(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C14H21BrN2O2/c1-4-5-14(3,19)8-17-13(18)11-6-10(15)7-12(16)9(11)2/h6-7,19H,4-5,8,16H2,1-3H3,(H,17,18)
InChIKeyUSRCWCPUSVCMMF-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.62
Rot. Bonds5

About 3-amino-5-bromo-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide

3-amino-5-bromo-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide (PubChem CID 106289286) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
PubChem CID106289286
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name3-amino-5-bromo-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
SMILESCCCC(C)(O)CNC(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C14H21BrN2O2/c1-4-5-14(3,19)8-17-13(18)11-6-10(15)7-12(16)9(11)2/h6-7,19H,4-5,8,16H2,1-3H3,(H,17,18)
InChIKeyUSRCWCPUSVCMMF-UHFFFAOYSA-N
XLogP2.62
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-hydroxy-2-methylpentyl)-5-methoxybenzamide
CID 106289273
3-amino-5-bromo-N-tert-butyl-2-methylbenzamide
CID 107871965
3-amino-4-bromo-N-(2-hydroxy-2-methylpentyl)benzamide
CID 106289346
3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide
CID 107871969
3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylbenzamide
CID 106289291
tert-butyl N-[3-[(3-amino-5-bromo-2-methylbenzoyl)amino]propyl]carbamate
CID 107873195
3-amino-5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107873229
3-amino-5-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbenzamide
CID 107872185
3-amino-5-bromo-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide
CID 107872306
N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 113240365
5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 103842862
4-bromo-N-(2-hydroxy-2-methylpentyl)-1H-pyrrole-2-carboxamide
CID 103712976

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide?
The IUPAC name of 3-amino-5-bromo-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide (CID 106289286) is 3-amino-5-bromo-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide?
The canonical SMILES for 3-amino-5-bromo-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide is CCCC(C)(O)CNC(=O)c1cc(Br)cc(N)c1C.
What is the InChIKey of 3-amino-5-bromo-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide?
The InChIKey is USRCWCPUSVCMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-4-5-14(3,19)8-17-13(18)11-6-10(15)7-12(16)9(11)2/h6-7,19H,4-5,8,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-5-bromo-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide?
3-amino-5-bromo-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide has a molecular weight of 329.24 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide is sourced from PubChem (CID 106289286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).