N-(2-bromoethyl)-N-cyclopentyl-2-fluoro-5-methylbenzamide

C15H19BrFNO — CID 80659303

IUPACN-(2-bromoethyl)-N-cyclopentyl-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)N(CCBr)C2CCCC2)c1
InChIInChI=1S/C15H19BrFNO/c1-11-6-7-14(17)13(10-11)15(19)18(9-8-16)12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3
InChIKeyTVRUEWIFCFCOFY-UHFFFAOYSA-N
MW328.22 g/mol
LogP3.91
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclopentyl-2-fluoro-5-methylbenzamide

N-(2-bromoethyl)-N-cyclopentyl-2-fluoro-5-methylbenzamide (PubChem CID 80659303) has the molecular formula C15H19BrFNO and a molecular weight of 328.22 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopentyl-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopentyl-2-fluoro-5-methylbenzamide
PubChem CID80659303
Molecular FormulaC15H19BrFNO
Molecular Weight328.22 g/mol
Exact Mass327.06
IUPAC NameN-(2-bromoethyl)-N-cyclopentyl-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)N(CCBr)C2CCCC2)c1
InChIInChI=1S/C15H19BrFNO/c1-11-6-7-14(17)13(10-11)15(19)18(9-8-16)12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3
InChIKeyTVRUEWIFCFCOFY-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62510137
N-(2-bromoethyl)-N-cyclopropyl-2-fluoro-4-methylbenzamide
CID 80665330
N-(3-aminopropyl)-N-cyclohexyl-2-fluoro-5-methylbenzamide
CID 62515468
2-bromo-N-(2-bromoethyl)-N-cyclobutyl-5-methylbenzamide
CID 102872929
N-cyclohexyl-2-fluoro-N,5-dimethylbenzamide
CID 62510377
N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide
CID 80658813
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-fluoro-5-methylbenzamide
CID 76945662
N-(2-bromoethyl)-4-chloro-N-cyclopentyl-2-hydroxybenzamide
CID 80658498
N-(2-bromoethyl)-N-cyclobutyl-3-fluoro-5-methylbenzamide
CID 102873053
4-bromo-N-(2-bromoethyl)-N-cyclohexyl-2-methylbenzamide
CID 80658918
N-(2-chloroethyl)-N-cyclohexyl-2,5-difluorobenzamide
CID 63391286
ethyl 2-[cyclopropyl-(2-fluoro-5-methylbenzoyl)amino]acetate
CID 62510142

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-2-fluoro-5-methylbenzamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-2-fluoro-5-methylbenzamide (CID 80659303) is N-(2-bromoethyl)-N-cyclopentyl-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopentyl-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopentyl-2-fluoro-5-methylbenzamide is Cc1ccc(F)c(C(=O)N(CCBr)C2CCCC2)c1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopentyl-2-fluoro-5-methylbenzamide?
The InChIKey is TVRUEWIFCFCOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO/c1-11-6-7-14(17)13(10-11)15(19)18(9-8-16)12-4-2-3-5-12/h6-7,10,12H,2-5,8-9H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclopentyl-2-fluoro-5-methylbenzamide?
N-(2-bromoethyl)-N-cyclopentyl-2-fluoro-5-methylbenzamide has a molecular weight of 328.22 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopentyl-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 80659303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).