N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide

C15H20BrNO — CID 104920682

IUPACN-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCCC2(C)C)c(Br)c1
InChIInChI=1S/C15H20BrNO/c1-10-6-7-13(12(16)9-10)17-14(18)11-5-4-8-15(11,2)3/h6-7,9,11H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyTYRYMFXOCFUIOG-UHFFFAOYSA-N
MW310.24 g/mol
LogP4.52
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide

N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 104920682) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID104920682
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC NameN-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCCC2(C)C)c(Br)c1
InChIInChI=1S/C15H20BrNO/c1-10-6-7-13(12(16)9-10)17-14(18)11-5-4-8-15(11,2)3/h6-7,9,11H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyTYRYMFXOCFUIOG-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
N-(3-amino-4-bromophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174941
2-bromo-N-(2,2-dimethylcyclopentyl)-4-methylaniline
CID 79864735
N-(4-fluoro-2-iodophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104918053
N-(4-amino-2-methoxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174704
N-(2-bromo-5-methoxyphenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107178935
N-[4-(aminomethyl)-2-fluorophenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107174661
(2S)-N-(2-bromo-4-methylphenyl)pyrrolidine-2-carboxamide
CID 22691461
N-(4-amino-2-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107174697
N-(2-bromo-5-chloro-3-pyridinyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 112750068
1-(2-bromo-4-methylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473081
N-(2-bromo-4-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583701

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide (CID 104920682) is N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide is Cc1ccc(NC(=O)C2CCCC2(C)C)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is TYRYMFXOCFUIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-10-6-7-13(12(16)9-10)17-14(18)11-5-4-8-15(11,2)3/h6-7,9,11H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide?
N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 310.24 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 104920682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).