N-(4-bromo-2-chlorophenyl)-2-cyclopentyl-N-methylacetamide

C14H17BrClNO — CID 60575184

IUPACN-(4-bromo-2-chlorophenyl)-2-cyclopentyl-N-methylacetamide
SMILESCN(C(=O)CC1CCCC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H17BrClNO/c1-17(13-7-6-11(15)9-12(13)16)14(18)8-10-4-2-3-5-10/h6-7,9-10H,2-5,8H2,1H3
InChIKeyDDAXGLSDOFJNEG-UHFFFAOYSA-N
MW330.65 g/mol
LogP4.65
Rot. Bonds3

About N-(4-bromo-2-chlorophenyl)-2-cyclopentyl-N-methylacetamide

N-(4-bromo-2-chlorophenyl)-2-cyclopentyl-N-methylacetamide (PubChem CID 60575184) has the molecular formula C14H17BrClNO and a molecular weight of 330.65 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-cyclopentyl-N-methylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-cyclopentyl-N-methylacetamide
PubChem CID60575184
Molecular FormulaC14H17BrClNO
Molecular Weight330.65 g/mol
Exact Mass329.02
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-cyclopentyl-N-methylacetamide
SMILESCN(C(=O)CC1CCCC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H17BrClNO/c1-17(13-7-6-11(15)9-12(13)16)14(18)8-10-4-2-3-5-10/h6-7,9-10H,2-5,8H2,1H3
InChIKeyDDAXGLSDOFJNEG-UHFFFAOYSA-N
XLogP4.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.65
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-cyclopentyl-N-methylacetamide
CID 60575142
N-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylacetamide
CID 115160585
N-(4-bromo-2,6-dichlorophenyl)-2-cyclopentylacetamide
CID 68711978
1-(4-bromo-2-chlorophenyl)-3-(diaminomethylidene)-1-methylurea
CID 21161328
N-(3-bromophenyl)-N-methyl-2-piperidin-3-ylacetamide
CID 115160586
2-cyclopentyl-N-(3,4-dimethylphenyl)-N-methylacetamide
CID 123790162
2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 78771137
2-cyclohexyl-N-(4-hydroxyphenyl)-N-methylacetamide
CID 43210198
N-(5-bromo-2-chlorophenyl)-2-cyclobutylacetamide
CID 103707266
1-[5-bromo-2-[cyclohexylmethyl(methyl)amino]phenyl]ethanone
CID 82967364
2-cyclohexyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 112792431
N-(5-bromo-2-methylphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide
CID 115160149

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-cyclopentyl-N-methylacetamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-cyclopentyl-N-methylacetamide (CID 60575184) is N-(4-bromo-2-chlorophenyl)-2-cyclopentyl-N-methylacetamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-cyclopentyl-N-methylacetamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-cyclopentyl-N-methylacetamide is CN(C(=O)CC1CCCC1)c1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-cyclopentyl-N-methylacetamide?
The InChIKey is DDAXGLSDOFJNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO/c1-17(13-7-6-11(15)9-12(13)16)14(18)8-10-4-2-3-5-10/h6-7,9-10H,2-5,8H2,1H3.
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-cyclopentyl-N-methylacetamide?
N-(4-bromo-2-chlorophenyl)-2-cyclopentyl-N-methylacetamide has a molecular weight of 330.65 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-cyclopentyl-N-methylacetamide is sourced from PubChem (CID 60575184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).