4-(bromomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)benzamide

C15H20BrNO2 — CID 102861173

IUPAC4-(bromomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
SMILESO=C(c1ccc(CBr)cc1)N(CCCO)C1CCC1
InChIInChI=1S/C15H20BrNO2/c16-11-12-5-7-13(8-6-12)15(19)17(9-2-10-18)14-3-1-4-14/h5-8,14,18H,1-4,9-11H2
InChIKeyQXNVOGBUABCCFP-UHFFFAOYSA-N
MW326.23 g/mol
LogP2.96
Rot. Bonds6

About 4-(bromomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)benzamide

4-(bromomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)benzamide (PubChem CID 102861173) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 4-(bromomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
PubChem CID102861173
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name4-(bromomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
SMILESO=C(c1ccc(CBr)cc1)N(CCCO)C1CCC1
InChIInChI=1S/C15H20BrNO2/c16-11-12-5-7-13(8-6-12)15(19)17(9-2-10-18)14-3-1-4-14/h5-8,14,18H,1-4,9-11H2
InChIKeyQXNVOGBUABCCFP-UHFFFAOYSA-N
XLogP2.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide
CID 102851284
N-cyclobutyl-4-(hydroxymethyl)-N-(3-hydroxypropyl)benzamide
CID 102866633
N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 102866210
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
N-cyclobutyl-4-ethyl-N-(2-hydroxyethyl)benzamide
CID 102684931
4-(bromomethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 102851269
5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)furan-2-carboxamide
CID 102862780
4-amino-3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102861629
N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 102872326
N-cyclobutyl-N-(3-hydroxypropyl)thiophene-3-carboxamide
CID 102866076
4-amino-3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102858723
N-cyclobutyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 102861861

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)benzamide?
The IUPAC name of 4-(bromomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)benzamide (CID 102861173) is 4-(bromomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for 4-(bromomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)benzamide is O=C(c1ccc(CBr)cc1)N(CCCO)C1CCC1.
What is the InChIKey of 4-(bromomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)benzamide?
The InChIKey is QXNVOGBUABCCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c16-11-12-5-7-13(8-6-12)15(19)17(9-2-10-18)14-3-1-4-14/h5-8,14,18H,1-4,9-11H2.
What are the key properties of 4-(bromomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)benzamide?
4-(bromomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)benzamide has a molecular weight of 326.23 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 102861173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).