3-bromo-N-(3-chloropropyl)-N-cyclobutyl-4-fluorobenzamide

C14H16BrClFNO — CID 107956894

IUPAC3-bromo-N-(3-chloropropyl)-N-cyclobutyl-4-fluorobenzamide
SMILESO=C(c1ccc(F)c(Br)c1)N(CCCCl)C1CCC1
InChIInChI=1S/C14H16BrClFNO/c15-12-9-10(5-6-13(12)17)14(19)18(8-2-7-16)11-3-1-4-11/h5-6,9,11H,1-4,7-8H2
InChIKeyMEPTZEXWIRBZEK-UHFFFAOYSA-N
MW348.64 g/mol
LogP4.21
Rot. Bonds5

About 3-bromo-N-(3-chloropropyl)-N-cyclobutyl-4-fluorobenzamide

3-bromo-N-(3-chloropropyl)-N-cyclobutyl-4-fluorobenzamide (PubChem CID 107956894) has the molecular formula C14H16BrClFNO and a molecular weight of 348.64 g/mol. Its IUPAC name is 3-bromo-N-(3-chloropropyl)-N-cyclobutyl-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-chloropropyl)-N-cyclobutyl-4-fluorobenzamide
PubChem CID107956894
Molecular FormulaC14H16BrClFNO
Molecular Weight348.64 g/mol
Exact Mass347.01
IUPAC Name3-bromo-N-(3-chloropropyl)-N-cyclobutyl-4-fluorobenzamide
SMILESO=C(c1ccc(F)c(Br)c1)N(CCCCl)C1CCC1
InChIInChI=1S/C14H16BrClFNO/c15-12-9-10(5-6-13(12)17)14(19)18(8-2-7-16)11-3-1-4-11/h5-6,9,11H,1-4,7-8H2
InChIKeyMEPTZEXWIRBZEK-UHFFFAOYSA-N
XLogP4.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.64
LogP ≤ 54.21
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

3-bromo-N-(2-chloroethyl)-N-cyclohexyl-4-fluorobenzamide
CID 107956554
3-bromo-N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)benzamide
CID 102684435
3-bromo-N-(2-chloroethyl)-N-cyclobutyl-4-methylbenzamide
CID 102872550
3-bromo-N-(cyanomethyl)-N-cyclopentyl-4-fluorobenzamide
CID 103707598
3-bromo-N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 107994367
N-(2-chloroethyl)-N-cyclopropyl-4-fluoro-3-methoxybenzamide
CID 81284079
N-(azetidin-3-yl)-3-bromo-4-fluoro-N-propylbenzamide
CID 107956199
3-bromo-N-(2-chloroethyl)-N-cyclobutyl-4-methoxybenzamide
CID 102872904
4-amino-3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102861629
N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 102872326
4-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 63391545
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-fluorobenzamide
CID 82878746

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-chloropropyl)-N-cyclobutyl-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-(3-chloropropyl)-N-cyclobutyl-4-fluorobenzamide (CID 107956894) is 3-bromo-N-(3-chloropropyl)-N-cyclobutyl-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(3-chloropropyl)-N-cyclobutyl-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(3-chloropropyl)-N-cyclobutyl-4-fluorobenzamide is O=C(c1ccc(F)c(Br)c1)N(CCCCl)C1CCC1.
What is the InChIKey of 3-bromo-N-(3-chloropropyl)-N-cyclobutyl-4-fluorobenzamide?
The InChIKey is MEPTZEXWIRBZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClFNO/c15-12-9-10(5-6-13(12)17)14(19)18(8-2-7-16)11-3-1-4-11/h5-6,9,11H,1-4,7-8H2.
What are the key properties of 3-bromo-N-(3-chloropropyl)-N-cyclobutyl-4-fluorobenzamide?
3-bromo-N-(3-chloropropyl)-N-cyclobutyl-4-fluorobenzamide has a molecular weight of 348.64 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-chloropropyl)-N-cyclobutyl-4-fluorobenzamide is sourced from PubChem (CID 107956894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).