2-bromo-N,N-dicyclopentylbenzamide

C17H22BrNO — CID 67873213

IUPAC2-bromo-N,N-dicyclopentylbenzamide
SMILESO=C(c1ccccc1Br)N(C1CCCC1)C1CCCC1
InChIInChI=1S/C17H22BrNO/c18-16-12-6-5-11-15(16)17(20)19(13-7-1-2-8-13)14-9-3-4-10-14/h5-6,11-14H,1-4,7-10H2
InChIKeyMMEXHBGGJIGVND-UHFFFAOYSA-N
MW336.27 g/mol
LogP4.78
Rot. Bonds3

About 2-bromo-N,N-dicyclopentylbenzamide

2-bromo-N,N-dicyclopentylbenzamide (PubChem CID 67873213) has the molecular formula C17H22BrNO and a molecular weight of 336.27 g/mol. Its IUPAC name is 2-bromo-N,N-dicyclopentylbenzamide.

Molecular Properties

Compound Name2-bromo-N,N-dicyclopentylbenzamide
PubChem CID67873213
Molecular FormulaC17H22BrNO
Molecular Weight336.27 g/mol
Exact Mass335.09
IUPAC Name2-bromo-N,N-dicyclopentylbenzamide
SMILESO=C(c1ccccc1Br)N(C1CCCC1)C1CCCC1
InChIInChI=1S/C17H22BrNO/c18-16-12-6-5-11-15(16)17(20)19(13-7-1-2-8-13)14-9-3-4-10-14/h5-6,11-14H,1-4,7-10H2
InChIKeyMMEXHBGGJIGVND-UHFFFAOYSA-N
XLogP4.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-dicyclopentylbenzamide?
The IUPAC name of 2-bromo-N,N-dicyclopentylbenzamide (CID 67873213) is 2-bromo-N,N-dicyclopentylbenzamide.
What is the SMILES notation for 2-bromo-N,N-dicyclopentylbenzamide?
The canonical SMILES for 2-bromo-N,N-dicyclopentylbenzamide is O=C(c1ccccc1Br)N(C1CCCC1)C1CCCC1.
What is the InChIKey of 2-bromo-N,N-dicyclopentylbenzamide?
The InChIKey is MMEXHBGGJIGVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO/c18-16-12-6-5-11-15(16)17(20)19(13-7-1-2-8-13)14-9-3-4-10-14/h5-6,11-14H,1-4,7-10H2.
What are the key properties of 2-bromo-N,N-dicyclopentylbenzamide?
2-bromo-N,N-dicyclopentylbenzamide has a molecular weight of 336.27 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-dicyclopentylbenzamide is sourced from PubChem (CID 67873213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).