2-bromo-N-[1-(chloromethyl)cyclopentyl]-5-methylbenzamide

C14H17BrClNO — CID 114300743

IUPAC2-bromo-N-[1-(chloromethyl)cyclopentyl]-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NC2(CCl)CCCC2)c1
InChIInChI=1S/C14H17BrClNO/c1-10-4-5-12(15)11(8-10)13(18)17-14(9-16)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18)
InChIKeyOFVQQKFWHRAASO-UHFFFAOYSA-N
MW330.65 g/mol
LogP4.04
Rot. Bonds3

About 2-bromo-N-[1-(chloromethyl)cyclopentyl]-5-methylbenzamide

2-bromo-N-[1-(chloromethyl)cyclopentyl]-5-methylbenzamide (PubChem CID 114300743) has the molecular formula C14H17BrClNO and a molecular weight of 330.65 g/mol. Its IUPAC name is 2-bromo-N-[1-(chloromethyl)cyclopentyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(chloromethyl)cyclopentyl]-5-methylbenzamide
PubChem CID114300743
Molecular FormulaC14H17BrClNO
Molecular Weight330.65 g/mol
Exact Mass329.02
IUPAC Name2-bromo-N-[1-(chloromethyl)cyclopentyl]-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NC2(CCl)CCCC2)c1
InChIInChI=1S/C14H17BrClNO/c1-10-4-5-12(15)11(8-10)13(18)17-14(9-16)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18)
InChIKeyOFVQQKFWHRAASO-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
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

N-[1-(chloromethyl)cyclopentyl]-2-fluoro-5-methylbenzamide
CID 113272385
2-bromo-5-methyl-N-(1-methylcyclopentyl)benzamide
CID 80987670
2-bromo-5-methyl-N-(1-methylcyclohexyl)benzamide
CID 80972166
2-bromo-N-[1-(bromomethyl)-3-methylcyclohexyl]-5-methylbenzamide
CID 114314843
3-bromo-N-[1-(chloromethyl)cyclopentyl]-2-fluorobenzamide
CID 107956670
5-chloro-N-[1-(chloromethyl)cyclopentyl]-2-methylbenzamide
CID 82891196
4-bromo-N-[1-(chloromethyl)cyclopentyl]-2-hydroxybenzamide
CID 113272413
2-bromo-N-[(1-hydroxycycloheptyl)methyl]-5-methylbenzamide
CID 81003216
N-[4-(chloromethyl)oxan-4-yl]-2-fluoro-5-methylbenzamide
CID 114170560
N-(1-bicyclo[1.1.1]pentanyl)-2-bromo-5-methylbenzamide
CID 172646961
N-[1-(bromomethyl)cyclopentyl]-2,4-dimethylbenzamide
CID 114311355
3,5-dibromo-N-[1-(chloromethyl)cyclopentyl]benzamide
CID 107974996

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(chloromethyl)cyclopentyl]-5-methylbenzamide?
The IUPAC name of 2-bromo-N-[1-(chloromethyl)cyclopentyl]-5-methylbenzamide (CID 114300743) is 2-bromo-N-[1-(chloromethyl)cyclopentyl]-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[1-(chloromethyl)cyclopentyl]-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-[1-(chloromethyl)cyclopentyl]-5-methylbenzamide is Cc1ccc(Br)c(C(=O)NC2(CCl)CCCC2)c1.
What is the InChIKey of 2-bromo-N-[1-(chloromethyl)cyclopentyl]-5-methylbenzamide?
The InChIKey is OFVQQKFWHRAASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO/c1-10-4-5-12(15)11(8-10)13(18)17-14(9-16)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18).
What are the key properties of 2-bromo-N-[1-(chloromethyl)cyclopentyl]-5-methylbenzamide?
2-bromo-N-[1-(chloromethyl)cyclopentyl]-5-methylbenzamide has a molecular weight of 330.65 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(chloromethyl)cyclopentyl]-5-methylbenzamide is sourced from PubChem (CID 114300743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).