3-bromo-N-(2-bromoethyl)-N-cyclopentyl-5-fluorobenzamide

C14H16Br2FNO — CID 80658999

IUPAC3-bromo-N-(2-bromoethyl)-N-cyclopentyl-5-fluorobenzamide
SMILESO=C(c1cc(F)cc(Br)c1)N(CCBr)C1CCCC1
InChIInChI=1S/C14H16Br2FNO/c15-5-6-18(13-3-1-2-4-13)14(19)10-7-11(16)9-12(17)8-10/h7-9,13H,1-6H2
InChIKeyRVGQYGUWZBAYLG-UHFFFAOYSA-N
MW393.09 g/mol
LogP4.37
Rot. Bonds4

About 3-bromo-N-(2-bromoethyl)-N-cyclopentyl-5-fluorobenzamide

3-bromo-N-(2-bromoethyl)-N-cyclopentyl-5-fluorobenzamide (PubChem CID 80658999) has the molecular formula C14H16Br2FNO and a molecular weight of 393.09 g/mol. Its IUPAC name is 3-bromo-N-(2-bromoethyl)-N-cyclopentyl-5-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromoethyl)-N-cyclopentyl-5-fluorobenzamide
PubChem CID80658999
Molecular FormulaC14H16Br2FNO
Molecular Weight393.09 g/mol
Exact Mass390.96
IUPAC Name3-bromo-N-(2-bromoethyl)-N-cyclopentyl-5-fluorobenzamide
SMILESO=C(c1cc(F)cc(Br)c1)N(CCBr)C1CCCC1
InChIInChI=1S/C14H16Br2FNO/c15-5-6-18(13-3-1-2-4-13)14(19)10-7-11(16)9-12(17)8-10/h7-9,13H,1-6H2
InChIKeyRVGQYGUWZBAYLG-UHFFFAOYSA-N
XLogP4.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.09
LogP ≤ 54.37
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-cyclopropyl-3,5-difluorobenzamide
CID 80677748
N-(2-bromoethyl)-N-cyclobutyl-3-fluoro-5-methylbenzamide
CID 102873053
N-(2-bromoethyl)-N-cyclobutyl-4-fluorobenzamide
CID 102873060
3,5-dibromo-N-(2-chloroethyl)-N-cyclobutylbenzamide
CID 107975422
N-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide
CID 80658625
3-bromo-N-ethyl-5-fluoro-N-piperidin-3-ylbenzamide
CID 63637955
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
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-fluorobenzamide
CID 82878746
N-(2-bromoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide
CID 80656410
3-bromo-N-(2-bromoethyl)-4-chloro-N-cyclopentylbenzamide
CID 107993678

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromoethyl)-N-cyclopentyl-5-fluorobenzamide?
The IUPAC name of 3-bromo-N-(2-bromoethyl)-N-cyclopentyl-5-fluorobenzamide (CID 80658999) is 3-bromo-N-(2-bromoethyl)-N-cyclopentyl-5-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(2-bromoethyl)-N-cyclopentyl-5-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(2-bromoethyl)-N-cyclopentyl-5-fluorobenzamide is O=C(c1cc(F)cc(Br)c1)N(CCBr)C1CCCC1.
What is the InChIKey of 3-bromo-N-(2-bromoethyl)-N-cyclopentyl-5-fluorobenzamide?
The InChIKey is RVGQYGUWZBAYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2FNO/c15-5-6-18(13-3-1-2-4-13)14(19)10-7-11(16)9-12(17)8-10/h7-9,13H,1-6H2.
What are the key properties of 3-bromo-N-(2-bromoethyl)-N-cyclopentyl-5-fluorobenzamide?
3-bromo-N-(2-bromoethyl)-N-cyclopentyl-5-fluorobenzamide has a molecular weight of 393.09 g/mol, XLogP of 4.37, 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)-N-cyclopentyl-5-fluorobenzamide is sourced from PubChem (CID 80658999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).