2-amino-5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide

C14H19BrN2O2 — CID 102864994

IUPAC2-amino-5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
SMILESNc1ccc(Br)cc1C(=O)N(CCCO)C1CCC1
InChIInChI=1S/C14H19BrN2O2/c15-10-5-6-13(16)12(9-10)14(19)17(7-2-8-18)11-3-1-4-11/h5-6,9,11,18H,1-4,7-8,16H2
InChIKeyYVPRDKTYQAXTMQ-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.41
Rot. Bonds5

About 2-amino-5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide

2-amino-5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide (PubChem CID 102864994) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-amino-5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
PubChem CID102864994
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-amino-5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
SMILESNc1ccc(Br)cc1C(=O)N(CCCO)C1CCC1
InChIInChI=1S/C14H19BrN2O2/c15-10-5-6-13(16)12(9-10)14(19)17(7-2-8-18)11-3-1-4-11/h5-6,9,11,18H,1-4,7-8,16H2
InChIKeyYVPRDKTYQAXTMQ-UHFFFAOYSA-N
XLogP2.41
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.41
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-cyclobutyl-N-(3-hydroxypropyl)-2-sulfanylbenzamide
CID 107036757
2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-methoxybenzamide
CID 102858713
4-amino-3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102861629
5-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
CID 102858844
2-amino-N-cyclobutyl-5-fluoro-N-(2-hydroxyethyl)benzamide
CID 102858956
2-amino-N-cyclohexyl-5-hydroxy-N-(2-hydroxyethyl)benzamide
CID 107074484
4-amino-3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102858723
2-amino-N-cyclobutyl-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 102870405
2-amino-5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 43575514
4-bromo-N-(2-chloroethyl)-N-cyclobutyl-2-hydroxybenzamide
CID 102872665
4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-methoxybenzamide
CID 102858749
4-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-sulfanylbenzamide
CID 107026297

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide?
The IUPAC name of 2-amino-5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide (CID 102864994) is 2-amino-5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for 2-amino-5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for 2-amino-5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide is Nc1ccc(Br)cc1C(=O)N(CCCO)C1CCC1.
What is the InChIKey of 2-amino-5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide?
The InChIKey is YVPRDKTYQAXTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-10-5-6-13(16)12(9-10)14(19)17(7-2-8-18)11-3-1-4-11/h5-6,9,11,18H,1-4,7-8,16H2.
What are the key properties of 2-amino-5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide?
2-amino-5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide has a molecular weight of 327.22 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 102864994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).