N-benzyl-2-bromo-N-cyclopropylbutanamide

C14H18BrNO — CID 62856125

IUPACN-benzyl-2-bromo-N-cyclopropylbutanamide
SMILESCCC(Br)C(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C14H18BrNO/c1-2-13(15)14(17)16(12-8-9-12)10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3
InChIKeyCQNJHIONUPAOHT-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.35
Rot. Bonds5

About N-benzyl-2-bromo-N-cyclopropylbutanamide

N-benzyl-2-bromo-N-cyclopropylbutanamide (PubChem CID 62856125) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is N-benzyl-2-bromo-N-cyclopropylbutanamide.

Molecular Properties

Compound NameN-benzyl-2-bromo-N-cyclopropylbutanamide
PubChem CID62856125
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC NameN-benzyl-2-bromo-N-cyclopropylbutanamide
SMILESCCC(Br)C(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C14H18BrNO/c1-2-13(15)14(17)16(12-8-9-12)10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3
InChIKeyCQNJHIONUPAOHT-UHFFFAOYSA-N
XLogP3.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide
CID 55110663
(2R)-N-benzyl-2-bromo-N-phenylbutanamide
CID 93477428
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylbutanamide
CID 62855039
1-benzyl-1-cyclopropyl-3-ethylurea
CID 127578302
2-(aminomethyl)-N-benzyl-N-cyclopropyl-4,4-dimethylpentanamide
CID 107471215
N-benzyl-2-(butan-2-ylamino)-N-cyclopropylacetamide
CID 54925148
(2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride
CID 119042549
N-benzyl-N-cyclopropyl-3,3-diphenylpropanamide
CID 55549162
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-ethylbutanamide
CID 43460533
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
CID 107904215
N-benzyl-4-(bromomethyl)-N-cyclopropylbenzamide
CID 102850934
N-benzyl-N-cyclopropylprop-2-enamide
CID 43616578

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-N-cyclopropylbutanamide?
The IUPAC name of N-benzyl-2-bromo-N-cyclopropylbutanamide (CID 62856125) is N-benzyl-2-bromo-N-cyclopropylbutanamide.
What is the SMILES notation for N-benzyl-2-bromo-N-cyclopropylbutanamide?
The canonical SMILES for N-benzyl-2-bromo-N-cyclopropylbutanamide is CCC(Br)C(=O)N(Cc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-2-bromo-N-cyclopropylbutanamide?
The InChIKey is CQNJHIONUPAOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-2-13(15)14(17)16(12-8-9-12)10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3.
What are the key properties of N-benzyl-2-bromo-N-cyclopropylbutanamide?
N-benzyl-2-bromo-N-cyclopropylbutanamide has a molecular weight of 296.21 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-N-cyclopropylbutanamide is sourced from PubChem (CID 62856125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).