4-amino-3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide

C14H19BrN2O2 — CID 102861629

IUPAC4-amino-3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
SMILESNc1ccc(C(=O)N(CCCO)C2CCC2)cc1Br
InChIInChI=1S/C14H19BrN2O2/c15-12-9-10(5-6-13(12)16)14(19)17(7-2-8-18)11-3-1-4-11/h5-6,9,11,18H,1-4,7-8,16H2
InChIKeyTXMBSWJEAAJCKU-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.41
Rot. Bonds5

About 4-amino-3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide

4-amino-3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide (PubChem CID 102861629) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 4-amino-3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
PubChem CID102861629
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name4-amino-3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
SMILESNc1ccc(C(=O)N(CCCO)C2CCC2)cc1Br
InChIInChI=1S/C14H19BrN2O2/c15-12-9-10(5-6-13(12)16)14(19)17(7-2-8-18)11-3-1-4-11/h5-6,9,11,18H,1-4,7-8,16H2
InChIKeyTXMBSWJEAAJCKU-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-amino-3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102858723
2-amino-5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102864994
3-amino-4-bromo-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 61095056
N-cyclobutyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 102861861
3-bromo-N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)benzamide
CID 102684435
4-(bromomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102861173
5-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
CID 102858844
N-cyclobutyl-4-(hydroxymethyl)-N-(3-hydroxypropyl)benzamide
CID 102866633
3-bromo-N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 107994367
3-carbamothioyl-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102862491
2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-methoxybenzamide
CID 102858713
3-bromo-N-(3-chloropropyl)-N-cyclobutyl-4-fluorobenzamide
CID 107956894

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide?
The IUPAC name of 4-amino-3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide (CID 102861629) is 4-amino-3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for 4-amino-3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for 4-amino-3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide is Nc1ccc(C(=O)N(CCCO)C2CCC2)cc1Br.
What is the InChIKey of 4-amino-3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide?
The InChIKey is TXMBSWJEAAJCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-12-9-10(5-6-13(12)16)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 4-amino-3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide?
4-amino-3-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 4-amino-3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 102861629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).