3-bromo-N-(2-bromoethyl)-4-chloro-N-cyclopentylbenzamide

C14H16Br2ClNO — CID 107993678

IUPAC3-bromo-N-(2-bromoethyl)-4-chloro-N-cyclopentylbenzamide
SMILESO=C(c1ccc(Cl)c(Br)c1)N(CCBr)C1CCCC1
InChIInChI=1S/C14H16Br2ClNO/c15-7-8-18(11-3-1-2-4-11)14(19)10-5-6-13(17)12(16)9-10/h5-6,9,11H,1-4,7-8H2
InChIKeyWBUUQTRIHKYLJB-UHFFFAOYSA-N
MW409.55 g/mol
LogP4.88
Rot. Bonds4

About 3-bromo-N-(2-bromoethyl)-4-chloro-N-cyclopentylbenzamide

3-bromo-N-(2-bromoethyl)-4-chloro-N-cyclopentylbenzamide (PubChem CID 107993678) has the molecular formula C14H16Br2ClNO and a molecular weight of 409.55 g/mol. Its IUPAC name is 3-bromo-N-(2-bromoethyl)-4-chloro-N-cyclopentylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromoethyl)-4-chloro-N-cyclopentylbenzamide
PubChem CID107993678
Molecular FormulaC14H16Br2ClNO
Molecular Weight409.55 g/mol
Exact Mass406.93
IUPAC Name3-bromo-N-(2-bromoethyl)-4-chloro-N-cyclopentylbenzamide
SMILESO=C(c1ccc(Cl)c(Br)c1)N(CCBr)C1CCCC1
InChIInChI=1S/C14H16Br2ClNO/c15-7-8-18(11-3-1-2-4-11)14(19)10-5-6-13(17)12(16)9-10/h5-6,9,11H,1-4,7-8H2
InChIKeyWBUUQTRIHKYLJB-UHFFFAOYSA-N
XLogP4.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 54.88
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-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 107994367
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-fluorobenzamide
CID 82878746
3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide
CID 103841594
N-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide
CID 80658625
N-(4-aminocyclohexyl)-3-bromo-4-chloro-N-propylbenzamide
CID 107990599
4-bromo-3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide
CID 80999167
N-(3-bromopropyl)-3-chloro-N-cyclobutyl-4-iodobenzamide
CID 103212872
3-bromo-N-(2-chloroethyl)-N-cyclohexyl-4-fluorobenzamide
CID 107956554
N-(2-bromoethyl)-2,6-dichloro-N-cyclopentylbenzamide
CID 80658796
3-bromo-4-chloro-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)benzamide
CID 107999423
3-bromo-N-(2-chloroethyl)-N-cyclobutyl-4-methylbenzamide
CID 102872550
N-(2-bromoethyl)-N-cyclobutyl-4-fluorobenzamide
CID 102873060

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromoethyl)-4-chloro-N-cyclopentylbenzamide?
The IUPAC name of 3-bromo-N-(2-bromoethyl)-4-chloro-N-cyclopentylbenzamide (CID 107993678) is 3-bromo-N-(2-bromoethyl)-4-chloro-N-cyclopentylbenzamide.
What is the SMILES notation for 3-bromo-N-(2-bromoethyl)-4-chloro-N-cyclopentylbenzamide?
The canonical SMILES for 3-bromo-N-(2-bromoethyl)-4-chloro-N-cyclopentylbenzamide is O=C(c1ccc(Cl)c(Br)c1)N(CCBr)C1CCCC1.
What is the InChIKey of 3-bromo-N-(2-bromoethyl)-4-chloro-N-cyclopentylbenzamide?
The InChIKey is WBUUQTRIHKYLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2ClNO/c15-7-8-18(11-3-1-2-4-11)14(19)10-5-6-13(17)12(16)9-10/h5-6,9,11H,1-4,7-8H2.
What are the key properties of 3-bromo-N-(2-bromoethyl)-4-chloro-N-cyclopentylbenzamide?
3-bromo-N-(2-bromoethyl)-4-chloro-N-cyclopentylbenzamide has a molecular weight of 409.55 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-bromoethyl)-4-chloro-N-cyclopentylbenzamide is sourced from PubChem (CID 107993678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).