N-(2-bromoethyl)-2,6-dichloro-N-cyclopentylbenzamide

C14H16BrCl2NO — CID 80658796

IUPACN-(2-bromoethyl)-2,6-dichloro-N-cyclopentylbenzamide
SMILESO=C(c1c(Cl)cccc1Cl)N(CCBr)C1CCCC1
InChIInChI=1S/C14H16BrCl2NO/c15-8-9-18(10-4-1-2-5-10)14(19)13-11(16)6-3-7-12(13)17/h3,6-7,10H,1-2,4-5,8-9H2
InChIKeyQAJYMJKICAXCJR-UHFFFAOYSA-N
MW365.10 g/mol
LogP4.77
Rot. Bonds4

About N-(2-bromoethyl)-2,6-dichloro-N-cyclopentylbenzamide

N-(2-bromoethyl)-2,6-dichloro-N-cyclopentylbenzamide (PubChem CID 80658796) has the molecular formula C14H16BrCl2NO and a molecular weight of 365.10 g/mol. Its IUPAC name is N-(2-bromoethyl)-2,6-dichloro-N-cyclopentylbenzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2,6-dichloro-N-cyclopentylbenzamide
PubChem CID80658796
Molecular FormulaC14H16BrCl2NO
Molecular Weight365.10 g/mol
Exact Mass362.98
IUPAC NameN-(2-bromoethyl)-2,6-dichloro-N-cyclopentylbenzamide
SMILESO=C(c1c(Cl)cccc1Cl)N(CCBr)C1CCCC1
InChIInChI=1S/C14H16BrCl2NO/c15-8-9-18(10-4-1-2-5-10)14(19)13-11(16)6-3-7-12(13)17/h3,6-7,10H,1-2,4-5,8-9H2
InChIKeyQAJYMJKICAXCJR-UHFFFAOYSA-N
XLogP4.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.10
LogP ≤ 54.77
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)-3-chloro-N-cyclohexyl-2-methylbenzamide
CID 107100035
2,6-dichloro-N,N-dicyclohexylbenzamide
CID 3555098
N-(2-bromoethyl)-3-chloro-N-cyclohexylthiophene-2-carboxamide
CID 80659701
3-bromo-N-(2-bromoethyl)-4-chloro-N-cyclopentylbenzamide
CID 107993678
N-(2-bromoethyl)-N-cyclopentyl-2-hydroxybenzamide
CID 80659305
N-(2-bromoethyl)-2-chloro-N-cyclopentylfuran-3-carboxamide
CID 106689910
N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide
CID 80658813
N-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide
CID 80658625
N-(2-bromoethyl)-2-chloro-N-cyclohexylfuran-3-carboxamide
CID 106689912
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-fluorobenzamide
CID 82878746
N-(2-bromoethyl)-4-chloro-N-cyclopentyl-2-hydroxybenzamide
CID 80658498
2-bromo-N-(2-bromoethyl)-N-cyclobutylbenzamide
CID 102873258

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2,6-dichloro-N-cyclopentylbenzamide?
The IUPAC name of N-(2-bromoethyl)-2,6-dichloro-N-cyclopentylbenzamide (CID 80658796) is N-(2-bromoethyl)-2,6-dichloro-N-cyclopentylbenzamide.
What is the SMILES notation for N-(2-bromoethyl)-2,6-dichloro-N-cyclopentylbenzamide?
The canonical SMILES for N-(2-bromoethyl)-2,6-dichloro-N-cyclopentylbenzamide is O=C(c1c(Cl)cccc1Cl)N(CCBr)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-2,6-dichloro-N-cyclopentylbenzamide?
The InChIKey is QAJYMJKICAXCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrCl2NO/c15-8-9-18(10-4-1-2-5-10)14(19)13-11(16)6-3-7-12(13)17/h3,6-7,10H,1-2,4-5,8-9H2.
What are the key properties of N-(2-bromoethyl)-2,6-dichloro-N-cyclopentylbenzamide?
N-(2-bromoethyl)-2,6-dichloro-N-cyclopentylbenzamide has a molecular weight of 365.10 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2,6-dichloro-N-cyclopentylbenzamide is sourced from PubChem (CID 80658796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).