N-(4-bromo-2-methylphenyl)-2-cyclopentyl-N-methylacetamide

C15H20BrNO — CID 60575142

IUPACN-(4-bromo-2-methylphenyl)-2-cyclopentyl-N-methylacetamide
SMILESCc1cc(Br)ccc1N(C)C(=O)CC1CCCC1
InChIInChI=1S/C15H20BrNO/c1-11-9-13(16)7-8-14(11)17(2)15(18)10-12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3
InChIKeyUJJPNICMSQHNTP-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.30
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-2-cyclopentyl-N-methylacetamide

N-(4-bromo-2-methylphenyl)-2-cyclopentyl-N-methylacetamide (PubChem CID 60575142) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-cyclopentyl-N-methylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-cyclopentyl-N-methylacetamide
PubChem CID60575142
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC NameN-(4-bromo-2-methylphenyl)-2-cyclopentyl-N-methylacetamide
SMILESCc1cc(Br)ccc1N(C)C(=O)CC1CCCC1
InChIInChI=1S/C15H20BrNO/c1-11-9-13(16)7-8-14(11)17(2)15(18)10-12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3
InChIKeyUJJPNICMSQHNTP-UHFFFAOYSA-N
XLogP4.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-cyclopentyl-N-methylacetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-cyclopentyl-N-methylacetamide (CID 60575142) is N-(4-bromo-2-methylphenyl)-2-cyclopentyl-N-methylacetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-cyclopentyl-N-methylacetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-cyclopentyl-N-methylacetamide is Cc1cc(Br)ccc1N(C)C(=O)CC1CCCC1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-cyclopentyl-N-methylacetamide?
The InChIKey is UJJPNICMSQHNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-11-9-13(16)7-8-14(11)17(2)15(18)10-12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3.
What are the key properties of N-(4-bromo-2-methylphenyl)-2-cyclopentyl-N-methylacetamide?
N-(4-bromo-2-methylphenyl)-2-cyclopentyl-N-methylacetamide has a molecular weight of 310.23 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-cyclopentyl-N-methylacetamide is sourced from PubChem (CID 60575142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).