N-[1-(bromomethyl)cyclopentyl]-5-chloro-2-methylbenzamide

C14H17BrClNO — CID 82890509

IUPACN-[1-(bromomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NC1(CBr)CCCC1
InChIInChI=1S/C14H17BrClNO/c1-10-4-5-11(16)8-12(10)13(18)17-14(9-15)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18)
InChIKeyMGRSTBJPUYIMMZ-UHFFFAOYSA-N
MW330.65 g/mol
LogP4.09
Rot. Bonds3

About N-[1-(bromomethyl)cyclopentyl]-5-chloro-2-methylbenzamide

N-[1-(bromomethyl)cyclopentyl]-5-chloro-2-methylbenzamide (PubChem CID 82890509) has the molecular formula C14H17BrClNO and a molecular weight of 330.65 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]-5-chloro-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
PubChem CID82890509
Molecular FormulaC14H17BrClNO
Molecular Weight330.65 g/mol
Exact Mass329.02
IUPAC NameN-[1-(bromomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NC1(CBr)CCCC1
InChIInChI=1S/C14H17BrClNO/c1-10-4-5-11(16)8-12(10)13(18)17-14(9-15)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18)
InChIKeyMGRSTBJPUYIMMZ-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
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-(bromomethyl)cyclopentyl]-2,5-dichlorobenzamide
CID 114311325
5-chloro-N-[1-(chloromethyl)cyclopentyl]-2-methylbenzamide
CID 82891196
N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82883175
N-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide
CID 114311465
N-[1-(bromomethyl)cyclopentyl]-2,4-dimethylbenzamide
CID 114311355
4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide
CID 113356724
5-chloro-N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methylbenzamide
CID 82890432
N-[1-(bromomethyl)cyclopentyl]-4-chloro-2,5-difluorobenzamide
CID 82773291
5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 82883323
4-bromo-N-[1-(bromomethyl)cyclohexyl]-2-chlorobenzamide
CID 113275517
N-[1-(bromomethyl)cyclopentyl]-2-methyl-4-nitrobenzamide
CID 114311554
N-[1-(bromomethyl)cyclohexyl]-2,4,6-trimethylbenzamide
CID 114314026

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclopentyl]-5-chloro-2-methylbenzamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]-5-chloro-2-methylbenzamide (CID 82890509) is N-[1-(bromomethyl)cyclopentyl]-5-chloro-2-methylbenzamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]-5-chloro-2-methylbenzamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]-5-chloro-2-methylbenzamide is Cc1ccc(Cl)cc1C(=O)NC1(CBr)CCCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]-5-chloro-2-methylbenzamide?
The InChIKey is MGRSTBJPUYIMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO/c1-10-4-5-11(16)8-12(10)13(18)17-14(9-15)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18).
What are the key properties of N-[1-(bromomethyl)cyclopentyl]-5-chloro-2-methylbenzamide?
N-[1-(bromomethyl)cyclopentyl]-5-chloro-2-methylbenzamide has a molecular weight of 330.65 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopentyl]-5-chloro-2-methylbenzamide is sourced from PubChem (CID 82890509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).