4-(bromomethyl)-N-(2-cyclopropylpropyl)benzamide

C14H18BrNO — CID 102852082

IUPAC4-(bromomethyl)-N-(2-cyclopropylpropyl)benzamide
SMILESCC(CNC(=O)c1ccc(CBr)cc1)C1CC1
InChIInChI=1S/C14H18BrNO/c1-10(12-6-7-12)9-16-14(17)13-4-2-11(8-15)3-5-13/h2-5,10,12H,6-9H2,1H3,(H,16,17)
InChIKeyIWRIBGPVHAYCCS-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.36
Rot. Bonds5

About 4-(bromomethyl)-N-(2-cyclopropylpropyl)benzamide

4-(bromomethyl)-N-(2-cyclopropylpropyl)benzamide (PubChem CID 102852082) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(2-cyclopropylpropyl)benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(2-cyclopropylpropyl)benzamide
PubChem CID102852082
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name4-(bromomethyl)-N-(2-cyclopropylpropyl)benzamide
SMILESCC(CNC(=O)c1ccc(CBr)cc1)C1CC1
InChIInChI=1S/C14H18BrNO/c1-10(12-6-7-12)9-16-14(17)13-4-2-11(8-15)3-5-13/h2-5,10,12H,6-9H2,1H3,(H,16,17)
InChIKeyIWRIBGPVHAYCCS-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-N-[(2R)-2-hydroxypropyl]benzamide
CID 15608280
6-bromo-N-(2-cyclopropylpropyl)pyridine-3-carboxamide
CID 115669873
6-chloro-N-(2-cyclopropylpropyl)pyridine-3-carboxamide
CID 115591200
4-(bromomethyl)-N-[(1R)-1-cycloheptylethyl]benzamide
CID 102851926
3-amino-N-(2-cyclopropylpropyl)-4-fluorobenzamide
CID 113266416
N-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide
CID 63294170
2-[4-(aminomethyl)phenyl]-N-(2-cyclopropylpropyl)acetamide
CID 113474877
N-(2-cyclopropylpropyl)furan-2-carboxamide
CID 115591186
3-chloro-N-(2-cyclopropylpropyl)-4-nitrobenzamide
CID 115868875
N-(2-bromo-2-cyclopropylethyl)-4-tert-butylbenzamide
CID 114315768
methyl 4-[(2-cyclopropylpropylamino)methyl]benzoate
CID 115905006
N-(2-cyclopropylpropyl)-5-hydroxypyridine-3-carboxamide
CID 115622011

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(2-cyclopropylpropyl)benzamide?
The IUPAC name of 4-(bromomethyl)-N-(2-cyclopropylpropyl)benzamide (CID 102852082) is 4-(bromomethyl)-N-(2-cyclopropylpropyl)benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-(2-cyclopropylpropyl)benzamide?
The canonical SMILES for 4-(bromomethyl)-N-(2-cyclopropylpropyl)benzamide is CC(CNC(=O)c1ccc(CBr)cc1)C1CC1.
What is the InChIKey of 4-(bromomethyl)-N-(2-cyclopropylpropyl)benzamide?
The InChIKey is IWRIBGPVHAYCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-10(12-6-7-12)9-16-14(17)13-4-2-11(8-15)3-5-13/h2-5,10,12H,6-9H2,1H3,(H,16,17).
What are the key properties of 4-(bromomethyl)-N-(2-cyclopropylpropyl)benzamide?
4-(bromomethyl)-N-(2-cyclopropylpropyl)benzamide has a molecular weight of 296.21 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(2-cyclopropylpropyl)benzamide is sourced from PubChem (CID 102852082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).