4-bromo-3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide

C16H22BrClN2O — CID 80999167

IUPAC4-bromo-3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCN(C(=O)c1ccc(Br)c(Cl)c1)C1CCCC1
InChIInChI=1S/C16H22BrClN2O/c1-19(2)9-10-20(13-5-3-4-6-13)16(21)12-7-8-14(17)15(18)11-12/h7-8,11,13H,3-6,9-10H2,1-2H3
InChIKeyTVGKJXPJBRPWGF-UHFFFAOYSA-N
MW373.72 g/mol
LogP4.05
Rot. Bonds5

About 4-bromo-3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide

4-bromo-3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 80999167) has the molecular formula C16H22BrClN2O and a molecular weight of 373.72 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID80999167
Molecular FormulaC16H22BrClN2O
Molecular Weight373.72 g/mol
Exact Mass372.06
IUPAC Name4-bromo-3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCN(C(=O)c1ccc(Br)c(Cl)c1)C1CCCC1
InChIInChI=1S/C16H22BrClN2O/c1-19(2)9-10-20(13-5-3-4-6-13)16(21)12-7-8-14(17)15(18)11-12/h7-8,11,13H,3-6,9-10H2,1-2H3
InChIKeyTVGKJXPJBRPWGF-UHFFFAOYSA-N
XLogP4.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.72
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(4-bromo-3-chlorobenzoyl)-cyclopentylamino]acetate
CID 80998116
3-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide
CID 60954447
3-bromo-N-(2-bromoethyl)-4-chloro-N-cyclopentylbenzamide
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CID 81294852
3-bromo-N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
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N-[2-(aminomethyl)cyclohexyl]-4-bromo-3-chloro-N-ethylbenzamide
CID 81294148
3-bromo-N-(2-chloroethyl)-N-cyclobutyl-4-methylbenzamide
CID 102872550
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 60565522
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-fluorobenzamide
CID 82878746
N-[2-(aminomethyl)cyclopentyl]-4-bromo-3-chloro-N-methylbenzamide
CID 81295179
4-bromo-N-cyclohexyl-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 103956472
4-bromo-3-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 81296264

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 4-bromo-3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide (CID 80999167) is 4-bromo-3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide is CN(C)CCN(C(=O)c1ccc(Br)c(Cl)c1)C1CCCC1.
What is the InChIKey of 4-bromo-3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is TVGKJXPJBRPWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrClN2O/c1-19(2)9-10-20(13-5-3-4-6-13)16(21)12-7-8-14(17)15(18)11-12/h7-8,11,13H,3-6,9-10H2,1-2H3.
What are the key properties of 4-bromo-3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide?
4-bromo-3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 373.72 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 80999167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).