3-amino-4-bromo-N-cyclopropyl-N-(2-hydroxyethyl)benzamide

C12H15BrN2O2 — CID 61095056

IUPAC3-amino-4-bromo-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
SMILESNc1cc(C(=O)N(CCO)C2CC2)ccc1Br
InChIInChI=1S/C12H15BrN2O2/c13-10-4-1-8(7-11(10)14)12(17)15(5-6-16)9-2-3-9/h1,4,7,9,16H,2-3,5-6,14H2
InChIKeyYSGZWEACYLPCSW-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.63
Rot. Bonds4

About 3-amino-4-bromo-N-cyclopropyl-N-(2-hydroxyethyl)benzamide

3-amino-4-bromo-N-cyclopropyl-N-(2-hydroxyethyl)benzamide (PubChem CID 61095056) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 3-amino-4-bromo-N-cyclopropyl-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
PubChem CID61095056
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name3-amino-4-bromo-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
SMILESNc1cc(C(=O)N(CCO)C2CC2)ccc1Br
InChIInChI=1S/C12H15BrN2O2/c13-10-4-1-8(7-11(10)14)12(17)15(5-6-16)9-2-3-9/h1,4,7,9,16H,2-3,5-6,14H2
InChIKeyYSGZWEACYLPCSW-UHFFFAOYSA-N
XLogP1.63
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.63
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

4-bromo-N-cyclohexyl-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 103956472
4-amino-3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102861629
3-bromo-N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)benzamide
CID 102684435
3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 61107791
6-bromo-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 66462316
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide
CID 43576906
3-amino-4-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 61115533
5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)benzamide
CID 62816289
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
2-amino-5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 43575514
3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide
CID 54906107
3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 43576965

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-cyclopropyl-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-cyclopropyl-N-(2-hydroxyethyl)benzamide (CID 61095056) is 3-amino-4-bromo-N-cyclopropyl-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-cyclopropyl-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-cyclopropyl-N-(2-hydroxyethyl)benzamide is Nc1cc(C(=O)N(CCO)C2CC2)ccc1Br.
What is the InChIKey of 3-amino-4-bromo-N-cyclopropyl-N-(2-hydroxyethyl)benzamide?
The InChIKey is YSGZWEACYLPCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-10-4-1-8(7-11(10)14)12(17)15(5-6-16)9-2-3-9/h1,4,7,9,16H,2-3,5-6,14H2.
What are the key properties of 3-amino-4-bromo-N-cyclopropyl-N-(2-hydroxyethyl)benzamide?
3-amino-4-bromo-N-cyclopropyl-N-(2-hydroxyethyl)benzamide has a molecular weight of 299.17 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-cyclopropyl-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 61095056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).