N-(2-bromoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide

C15H17BrF3NO — CID 80656410

IUPACN-(2-bromoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide
SMILESO=C(c1ccc(C(F)(F)F)cc1)N(CCBr)C1CCCC1
InChIInChI=1S/C15H17BrF3NO/c16-9-10-20(13-3-1-2-4-13)14(21)11-5-7-12(8-6-11)15(17,18)19/h5-8,13H,1-4,9-10H2
InChIKeyZOIYAPJWOTTXDG-UHFFFAOYSA-N
MW364.21 g/mol
LogP4.49
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide

N-(2-bromoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide (PubChem CID 80656410) has the molecular formula C15H17BrF3NO and a molecular weight of 364.21 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide
PubChem CID80656410
Molecular FormulaC15H17BrF3NO
Molecular Weight364.21 g/mol
Exact Mass363.04
IUPAC NameN-(2-bromoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide
SMILESO=C(c1ccc(C(F)(F)F)cc1)N(CCBr)C1CCCC1
InChIInChI=1S/C15H17BrF3NO/c16-9-10-20(13-3-1-2-4-13)14(21)11-5-7-12(8-6-11)15(17,18)19/h5-8,13H,1-4,9-10H2
InChIKeyZOIYAPJWOTTXDG-UHFFFAOYSA-N
XLogP4.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 54.49
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-(2-aminoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide
CID 63754982
N-(2-bromoethyl)-N-cyclobutyl-4-fluorobenzamide
CID 102873060
N-(2-bromoethyl)-N-cyclobutyl-3-(trifluoromethyl)benzamide
CID 102873211
N-(2-bromoethyl)-N-cyclopentyl-4-propan-2-yloxybenzamide
CID 80652714
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-fluorobenzamide
CID 82878746
3-bromo-N-(2-bromoethyl)-4-chloro-N-cyclopentylbenzamide
CID 107993678
N-(2-bromoethyl)-N-cyclopentylpyrimidine-5-carboxamide
CID 102922719
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
N-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide
CID 80658625
N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 102872326
3-bromo-N-(2-bromoethyl)-N-cyclopentyl-5-fluorobenzamide
CID 80658999
4-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 63391545

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide (CID 80656410) is N-(2-bromoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide is O=C(c1ccc(C(F)(F)F)cc1)N(CCBr)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide?
The InChIKey is ZOIYAPJWOTTXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrF3NO/c16-9-10-20(13-3-1-2-4-13)14(21)11-5-7-12(8-6-11)15(17,18)19/h5-8,13H,1-4,9-10H2.
What are the key properties of N-(2-bromoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide?
N-(2-bromoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide has a molecular weight of 364.21 g/mol, XLogP of 4.49, 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-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 80656410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).