4-bromo-N-cyclopentyl-2-fluoro-N-(2-methylpropyl)benzamide

C16H21BrFNO — CID 112725824

IUPAC4-bromo-N-cyclopentyl-2-fluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C(=O)c1ccc(Br)cc1F)C1CCCC1
InChIInChI=1S/C16H21BrFNO/c1-11(2)10-19(13-5-3-4-6-13)16(20)14-8-7-12(17)9-15(14)18/h7-9,11,13H,3-6,10H2,1-2H3
InChIKeyRRPHQYGMLNQZEY-UHFFFAOYSA-N
MW342.25 g/mol
LogP4.63
Rot. Bonds4

About 4-bromo-N-cyclopentyl-2-fluoro-N-(2-methylpropyl)benzamide

4-bromo-N-cyclopentyl-2-fluoro-N-(2-methylpropyl)benzamide (PubChem CID 112725824) has the molecular formula C16H21BrFNO and a molecular weight of 342.25 g/mol. Its IUPAC name is 4-bromo-N-cyclopentyl-2-fluoro-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-cyclopentyl-2-fluoro-N-(2-methylpropyl)benzamide
PubChem CID112725824
Molecular FormulaC16H21BrFNO
Molecular Weight342.25 g/mol
Exact Mass341.08
IUPAC Name4-bromo-N-cyclopentyl-2-fluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C(=O)c1ccc(Br)cc1F)C1CCCC1
InChIInChI=1S/C16H21BrFNO/c1-11(2)10-19(13-5-3-4-6-13)16(20)14-8-7-12(17)9-15(14)18/h7-9,11,13H,3-6,10H2,1-2H3
InChIKeyRRPHQYGMLNQZEY-UHFFFAOYSA-N
XLogP4.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-cyclohexyl-N-ethyl-2-fluorobenzamide
CID 24693418
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CID 107032458
2-bromo-N-cyclopentyl-6-fluoro-N-(2-methylpropyl)benzamide
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4-bromo-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide
CID 54923872
4-bromo-2-fluoro-N,N-bis(3-methylbutyl)benzamide
CID 63525644
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CID 119203138
5-chloro-N-cyclopentyl-2-hydroxy-N-(2-methylpropyl)benzamide
CID 112725805
2-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide
CID 63110252
5-amino-N-cyclopropyl-2-fluoro-N-(2-methylpropyl)benzamide
CID 61104994
4-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methylpropyl)benzamide
CID 60699445
5-bromo-N-cyclopentyl-N-(2-methylpropyl)furan-2-carboxamide
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3-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 113223704

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopentyl-2-fluoro-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-bromo-N-cyclopentyl-2-fluoro-N-(2-methylpropyl)benzamide (CID 112725824) is 4-bromo-N-cyclopentyl-2-fluoro-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-bromo-N-cyclopentyl-2-fluoro-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-bromo-N-cyclopentyl-2-fluoro-N-(2-methylpropyl)benzamide is CC(C)CN(C(=O)c1ccc(Br)cc1F)C1CCCC1.
What is the InChIKey of 4-bromo-N-cyclopentyl-2-fluoro-N-(2-methylpropyl)benzamide?
The InChIKey is RRPHQYGMLNQZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrFNO/c1-11(2)10-19(13-5-3-4-6-13)16(20)14-8-7-12(17)9-15(14)18/h7-9,11,13H,3-6,10H2,1-2H3.
What are the key properties of 4-bromo-N-cyclopentyl-2-fluoro-N-(2-methylpropyl)benzamide?
4-bromo-N-cyclopentyl-2-fluoro-N-(2-methylpropyl)benzamide has a molecular weight of 342.25 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopentyl-2-fluoro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 112725824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).