N-(2-bromoethyl)-N-cyclobutyl-4-fluorobenzamide

C13H15BrFNO — CID 102873060

IUPACN-(2-bromoethyl)-N-cyclobutyl-4-fluorobenzamide
SMILESO=C(c1ccc(F)cc1)N(CCBr)C1CCC1
InChIInChI=1S/C13H15BrFNO/c14-8-9-16(12-2-1-3-12)13(17)10-4-6-11(15)7-5-10/h4-7,12H,1-3,8-9H2
InChIKeyOEOLDHDVZXYYEM-UHFFFAOYSA-N
MW300.17 g/mol
LogP3.22
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclobutyl-4-fluorobenzamide

N-(2-bromoethyl)-N-cyclobutyl-4-fluorobenzamide (PubChem CID 102873060) has the molecular formula C13H15BrFNO and a molecular weight of 300.17 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclobutyl-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclobutyl-4-fluorobenzamide
PubChem CID102873060
Molecular FormulaC13H15BrFNO
Molecular Weight300.17 g/mol
Exact Mass299.03
IUPAC NameN-(2-bromoethyl)-N-cyclobutyl-4-fluorobenzamide
SMILESO=C(c1ccc(F)cc1)N(CCBr)C1CCC1
InChIInChI=1S/C13H15BrFNO/c14-8-9-16(12-2-1-3-12)13(17)10-4-6-11(15)7-5-10/h4-7,12H,1-3,8-9H2
InChIKeyOEOLDHDVZXYYEM-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 53.22
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-(2-bromoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide
CID 80656410
3-[cyclopentyl-(4-fluorobenzoyl)amino]propanoic acid
CID 82324866
N-(2-bromoethyl)-N-cyclobutyl-3-fluoro-5-methylbenzamide
CID 102873053
N-(2-bromoethyl)-N-cyclopropyl-3,5-difluorobenzamide
CID 80677748
3-bromo-N-(2-bromoethyl)-N-cyclopentyl-5-fluorobenzamide
CID 80658999
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-fluorobenzamide
CID 82878746
N-(2-bromoethyl)-N-cyclopentyl-4-propan-2-yloxybenzamide
CID 80652714
N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 102872326
N,N-dicyclohexyl-4-fluorobenzamide
CID 784952
N-(2-bromoethyl)-N-cyclobutyl-3-(trifluoromethyl)benzamide
CID 102873211
3-bromo-N-(2-bromoethyl)-4-chloro-N-cyclopentylbenzamide
CID 107993678
N-(2-bromoethyl)-N-cyclobutyl-6-fluoro-1-benzothiophene-2-carboxamide
CID 102872984

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclobutyl-4-fluorobenzamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclobutyl-4-fluorobenzamide (CID 102873060) is N-(2-bromoethyl)-N-cyclobutyl-4-fluorobenzamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclobutyl-4-fluorobenzamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclobutyl-4-fluorobenzamide is O=C(c1ccc(F)cc1)N(CCBr)C1CCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclobutyl-4-fluorobenzamide?
The InChIKey is OEOLDHDVZXYYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO/c14-8-9-16(12-2-1-3-12)13(17)10-4-6-11(15)7-5-10/h4-7,12H,1-3,8-9H2.
What are the key properties of N-(2-bromoethyl)-N-cyclobutyl-4-fluorobenzamide?
N-(2-bromoethyl)-N-cyclobutyl-4-fluorobenzamide has a molecular weight of 300.17 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclobutyl-4-fluorobenzamide is sourced from PubChem (CID 102873060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).