2-bromo-N-[(3-chlorocyclopentyl)methyl]-5-methylbenzamide

C14H17BrClNO — CID 114146890

IUPAC2-bromo-N-[(3-chlorocyclopentyl)methyl]-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NCC2CCC(Cl)C2)c1
InChIInChI=1S/C14H17BrClNO/c1-9-2-5-13(15)12(6-9)14(18)17-8-10-3-4-11(16)7-10/h2,5-6,10-11H,3-4,7-8H2,1H3,(H,17,18)
InChIKeyZTKBNSOCFFZZPW-UHFFFAOYSA-N
MW330.65 g/mol
LogP3.89
Rot. Bonds3

About 2-bromo-N-[(3-chlorocyclopentyl)methyl]-5-methylbenzamide

2-bromo-N-[(3-chlorocyclopentyl)methyl]-5-methylbenzamide (PubChem CID 114146890) has the molecular formula C14H17BrClNO and a molecular weight of 330.65 g/mol. Its IUPAC name is 2-bromo-N-[(3-chlorocyclopentyl)methyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[(3-chlorocyclopentyl)methyl]-5-methylbenzamide
PubChem CID114146890
Molecular FormulaC14H17BrClNO
Molecular Weight330.65 g/mol
Exact Mass329.02
IUPAC Name2-bromo-N-[(3-chlorocyclopentyl)methyl]-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NCC2CCC(Cl)C2)c1
InChIInChI=1S/C14H17BrClNO/c1-9-2-5-13(15)12(6-9)14(18)17-8-10-3-4-11(16)7-10/h2,5-6,10-11H,3-4,7-8H2,1H3,(H,17,18)
InChIKeyZTKBNSOCFFZZPW-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.65
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 80974574
2-bromo-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 113259158
5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126328
2-bromo-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81110131
2,5-dibromo-N-(cyclopropylmethyl)benzamide
CID 114369762
2-bromo-N-[2-(cyclopropylmethoxy)ethyl]-5-methylbenzamide
CID 103773500
2-hydroxy-N-[(3-hydroxycyclopentyl)methyl]-5-methylbenzamide
CID 103279879
2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126358
5-chloro-N-[(3-chlorocyclopentyl)methyl]-2-methoxybenzamide
CID 114146911
N-[(3-chlorocyclopentyl)methyl]-4-methylthiophene-3-carboxamide
CID 106126254
N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide
CID 106126996
2-chloro-N-[(3-chlorocyclopentyl)methyl]-5-methylsulfanylbenzamide
CID 114146880

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-chlorocyclopentyl)methyl]-5-methylbenzamide?
The IUPAC name of 2-bromo-N-[(3-chlorocyclopentyl)methyl]-5-methylbenzamide (CID 114146890) is 2-bromo-N-[(3-chlorocyclopentyl)methyl]-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[(3-chlorocyclopentyl)methyl]-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-[(3-chlorocyclopentyl)methyl]-5-methylbenzamide is Cc1ccc(Br)c(C(=O)NCC2CCC(Cl)C2)c1.
What is the InChIKey of 2-bromo-N-[(3-chlorocyclopentyl)methyl]-5-methylbenzamide?
The InChIKey is ZTKBNSOCFFZZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO/c1-9-2-5-13(15)12(6-9)14(18)17-8-10-3-4-11(16)7-10/h2,5-6,10-11H,3-4,7-8H2,1H3,(H,17,18).
What are the key properties of 2-bromo-N-[(3-chlorocyclopentyl)methyl]-5-methylbenzamide?
2-bromo-N-[(3-chlorocyclopentyl)methyl]-5-methylbenzamide has a molecular weight of 330.65 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3-chlorocyclopentyl)methyl]-5-methylbenzamide is sourced from PubChem (CID 114146890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).