3,5-dibromo-N-(2-chloroethyl)-N-cyclobutylbenzamide

C13H14Br2ClNO — CID 107975422

IUPAC3,5-dibromo-N-(2-chloroethyl)-N-cyclobutylbenzamide
SMILESO=C(c1cc(Br)cc(Br)c1)N(CCCl)C1CCC1
InChIInChI=1S/C13H14Br2ClNO/c14-10-6-9(7-11(15)8-10)13(18)17(5-4-16)12-2-1-3-12/h6-8,12H,1-5H2
InChIKeyKHNKDSCFSGNQTE-UHFFFAOYSA-N
MW395.52 g/mol
LogP4.45
Rot. Bonds4

About 3,5-dibromo-N-(2-chloroethyl)-N-cyclobutylbenzamide

3,5-dibromo-N-(2-chloroethyl)-N-cyclobutylbenzamide (PubChem CID 107975422) has the molecular formula C13H14Br2ClNO and a molecular weight of 395.52 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-chloroethyl)-N-cyclobutylbenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2-chloroethyl)-N-cyclobutylbenzamide
PubChem CID107975422
Molecular FormulaC13H14Br2ClNO
Molecular Weight395.52 g/mol
Exact Mass392.91
IUPAC Name3,5-dibromo-N-(2-chloroethyl)-N-cyclobutylbenzamide
SMILESO=C(c1cc(Br)cc(Br)c1)N(CCCl)C1CCC1
InChIInChI=1S/C13H14Br2ClNO/c14-10-6-9(7-11(15)8-10)13(18)17(5-4-16)12-2-1-3-12/h6-8,12H,1-5H2
InChIKeyKHNKDSCFSGNQTE-UHFFFAOYSA-N
XLogP4.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 54.45
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

5-bromo-N-(2-chloroethyl)-N-cyclobutylpyridine-3-carboxamide
CID 102872640
4-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 63391545
3-bromo-N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394655
3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 63391832
N-(2-chloroethyl)-N-cyclobutyl-3,5-dimethylbenzamide
CID 102872881
3,5-dichloro-N-(2-chloroethyl)-N-cyclohexylbenzamide
CID 63391653
3-bromo-N-(3-bromopropyl)-5-chloro-N-cyclobutylbenzamide
CID 107941502
N-(2-chloroethyl)-N-cyclopropyl-3,5-difluorobenzamide
CID 63394666
3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-5-methylbenzamide
CID 104852405
3-bromo-N-(2-bromoethyl)-N-cyclopentyl-5-fluorobenzamide
CID 80658999
3-bromo-N-(2-chloroethyl)-N-cyclobutyl-4-methylbenzamide
CID 102872550
3,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylbenzamide
CID 107980320

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-chloroethyl)-N-cyclobutylbenzamide?
The IUPAC name of 3,5-dibromo-N-(2-chloroethyl)-N-cyclobutylbenzamide (CID 107975422) is 3,5-dibromo-N-(2-chloroethyl)-N-cyclobutylbenzamide.
What is the SMILES notation for 3,5-dibromo-N-(2-chloroethyl)-N-cyclobutylbenzamide?
The canonical SMILES for 3,5-dibromo-N-(2-chloroethyl)-N-cyclobutylbenzamide is O=C(c1cc(Br)cc(Br)c1)N(CCCl)C1CCC1.
What is the InChIKey of 3,5-dibromo-N-(2-chloroethyl)-N-cyclobutylbenzamide?
The InChIKey is KHNKDSCFSGNQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2ClNO/c14-10-6-9(7-11(15)8-10)13(18)17(5-4-16)12-2-1-3-12/h6-8,12H,1-5H2.
What are the key properties of 3,5-dibromo-N-(2-chloroethyl)-N-cyclobutylbenzamide?
3,5-dibromo-N-(2-chloroethyl)-N-cyclobutylbenzamide has a molecular weight of 395.52 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(2-chloroethyl)-N-cyclobutylbenzamide is sourced from PubChem (CID 107975422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).