3-amino-5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-methylbenzamide

C13H17BrN2O2 — CID 114011338

IUPAC3-amino-5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)N(CCO)C1CC1
InChIInChI=1S/C13H17BrN2O2/c1-8-11(6-9(14)7-12(8)15)13(18)16(4-5-17)10-2-3-10/h6-7,10,17H,2-5,15H2,1H3
InChIKeySVEWODMZLVEOSO-UHFFFAOYSA-N
MW313.19 g/mol
LogP1.94
Rot. Bonds4

About 3-amino-5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-methylbenzamide

3-amino-5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-methylbenzamide (PubChem CID 114011338) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 3-amino-5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-methylbenzamide
PubChem CID114011338
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name3-amino-5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)N(CCO)C1CC1
InChIInChI=1S/C13H17BrN2O2/c1-8-11(6-9(14)7-12(8)15)13(18)16(4-5-17)10-2-3-10/h6-7,10,17H,2-5,15H2,1H3
InChIKeySVEWODMZLVEOSO-UHFFFAOYSA-N
XLogP1.94
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 62187031
3-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 107872372
3-amino-5-bromo-N-cyclohexyl-N,2-dimethylbenzamide
CID 107872003
4-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-sulfanylbenzamide
CID 107026297
5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)benzamide
CID 62816289
3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 61115530
2-amino-5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 43575514
3-amino-5-bromo-N,2-dimethyl-N-propylbenzamide
CID 107872178
2-amino-5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102864994
3-amino-4-bromo-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 61095056
3-amino-5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 107872784
5-bromo-3-[cyclopropyl(propyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65370705

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-methylbenzamide?
The IUPAC name of 3-amino-5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-methylbenzamide (CID 114011338) is 3-amino-5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-methylbenzamide?
The canonical SMILES for 3-amino-5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-methylbenzamide is Cc1c(N)cc(Br)cc1C(=O)N(CCO)C1CC1.
What is the InChIKey of 3-amino-5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-methylbenzamide?
The InChIKey is SVEWODMZLVEOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-8-11(6-9(14)7-12(8)15)13(18)16(4-5-17)10-2-3-10/h6-7,10,17H,2-5,15H2,1H3.
What are the key properties of 3-amino-5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-methylbenzamide?
3-amino-5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-methylbenzamide has a molecular weight of 313.19 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-methylbenzamide is sourced from PubChem (CID 114011338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).