3-(4-bromophenyl)-N-(3,3-dimethylcyclopentyl)butanamide

C17H24BrNO — CID 114550396

IUPAC3-(4-bromophenyl)-N-(3,3-dimethylcyclopentyl)butanamide
SMILESCC(CC(=O)NC1CCC(C)(C)C1)c1ccc(Br)cc1
InChIInChI=1S/C17H24BrNO/c1-12(13-4-6-14(18)7-5-13)10-16(20)19-15-8-9-17(2,3)11-15/h4-7,12,15H,8-11H2,1-3H3,(H,19,20)
InChIKeyIDVWRQUPXXLERC-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.64
Rot. Bonds4

About 3-(4-bromophenyl)-N-(3,3-dimethylcyclopentyl)butanamide

3-(4-bromophenyl)-N-(3,3-dimethylcyclopentyl)butanamide (PubChem CID 114550396) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(3,3-dimethylcyclopentyl)butanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-(3,3-dimethylcyclopentyl)butanamide
PubChem CID114550396
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name3-(4-bromophenyl)-N-(3,3-dimethylcyclopentyl)butanamide
SMILESCC(CC(=O)NC1CCC(C)(C)C1)c1ccc(Br)cc1
InChIInChI=1S/C17H24BrNO/c1-12(13-4-6-14(18)7-5-13)10-16(20)19-15-8-9-17(2,3)11-15/h4-7,12,15H,8-11H2,1-3H3,(H,19,20)
InChIKeyIDVWRQUPXXLERC-UHFFFAOYSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-bromophenyl)-N-(3-methylcyclopentyl)butanamide
CID 114549884
3-(4-bromophenyl)-N-(2-methylpiperidin-4-yl)butanamide
CID 106995320
N-[1-(4-bromophenyl)propyl]-3,3-dimethylcyclopentan-1-amine
CID 80705179
(E)-3-(4-bromophenyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide
CID 114550381
N-(3,3-dimethylcyclopentyl)-2-(propan-2-ylamino)acetamide
CID 114546396
N-(3,3-dimethylcyclopentyl)-2-(2-hydroxyphenyl)acetamide
CID 113345738
1-bromo-4-[(2S)-1-(4,4-dimethylcyclohexyl)propan-2-yl]benzene
CID 58276340
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
N-(4-aminocyclohexyl)-3-(4-ethylphenyl)butanamide
CID 119475429
2-(4-chlorophenyl)-N-(3,3-dimethylcyclopentyl)-3-methylbutanamide
CID 114550401
2-(2-chlorophenyl)-N-(3,3-dimethylcyclopentyl)acetamide
CID 113345428
2-(4-acetamidophenyl)-N-(3,3-dimethylcyclopentyl)acetamide
CID 115880570

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-(3,3-dimethylcyclopentyl)butanamide?
The IUPAC name of 3-(4-bromophenyl)-N-(3,3-dimethylcyclopentyl)butanamide (CID 114550396) is 3-(4-bromophenyl)-N-(3,3-dimethylcyclopentyl)butanamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-(3,3-dimethylcyclopentyl)butanamide?
The canonical SMILES for 3-(4-bromophenyl)-N-(3,3-dimethylcyclopentyl)butanamide is CC(CC(=O)NC1CCC(C)(C)C1)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-N-(3,3-dimethylcyclopentyl)butanamide?
The InChIKey is IDVWRQUPXXLERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-12(13-4-6-14(18)7-5-13)10-16(20)19-15-8-9-17(2,3)11-15/h4-7,12,15H,8-11H2,1-3H3,(H,19,20).
What are the key properties of 3-(4-bromophenyl)-N-(3,3-dimethylcyclopentyl)butanamide?
3-(4-bromophenyl)-N-(3,3-dimethylcyclopentyl)butanamide has a molecular weight of 338.29 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-(3,3-dimethylcyclopentyl)butanamide is sourced from PubChem (CID 114550396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).