3-(4-bromophenyl)-N-(3-methylcyclopentyl)butanamide

C16H22BrNO — CID 114549884

IUPAC3-(4-bromophenyl)-N-(3-methylcyclopentyl)butanamide
SMILESCC1CCC(NC(=O)CC(C)c2ccc(Br)cc2)C1
InChIInChI=1S/C16H22BrNO/c1-11-3-8-15(9-11)18-16(19)10-12(2)13-4-6-14(17)7-5-13/h4-7,11-12,15H,3,8-10H2,1-2H3,(H,18,19)
InChIKeyOKLSHBYHNJGZMC-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.25
Rot. Bonds4

About 3-(4-bromophenyl)-N-(3-methylcyclopentyl)butanamide

3-(4-bromophenyl)-N-(3-methylcyclopentyl)butanamide (PubChem CID 114549884) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(3-methylcyclopentyl)butanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-(3-methylcyclopentyl)butanamide
PubChem CID114549884
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name3-(4-bromophenyl)-N-(3-methylcyclopentyl)butanamide
SMILESCC1CCC(NC(=O)CC(C)c2ccc(Br)cc2)C1
InChIInChI=1S/C16H22BrNO/c1-11-3-8-15(9-11)18-16(19)10-12(2)13-4-6-14(17)7-5-13/h4-7,11-12,15H,3,8-10H2,1-2H3,(H,18,19)
InChIKeyOKLSHBYHNJGZMC-UHFFFAOYSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-bromophenyl)-N-(2-methylpiperidin-4-yl)butanamide
CID 106995320
3-(4-bromophenyl)-N-(3,3-dimethylcyclopentyl)butanamide
CID 114550396
3-amino-N-(3-methylcyclopentyl)butanamide
CID 114546157
3-methyl-N-(3-methylcyclopentyl)pentanamide
CID 114875354
2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide
CID 43398074
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
N-(4-aminocyclohexyl)-3-(4-ethylphenyl)butanamide
CID 119475429
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 81358990
N-(4-aminocyclohexyl)-3-(4-methoxyphenyl)butanamide;hydrochloride
CID 119477343
2-(2-hydroxyphenyl)-N-(3-methylcyclopentyl)acetamide
CID 114546911
5-bromo-2-methyl-N-(3-methylcyclopentyl)benzamide
CID 114546768
4-[3-[4-(trifluoromethyl)phenyl]butanoylamino]cyclohexane-1-carboxylic acid
CID 119230390

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-(3-methylcyclopentyl)butanamide?
The IUPAC name of 3-(4-bromophenyl)-N-(3-methylcyclopentyl)butanamide (CID 114549884) is 3-(4-bromophenyl)-N-(3-methylcyclopentyl)butanamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-(3-methylcyclopentyl)butanamide?
The canonical SMILES for 3-(4-bromophenyl)-N-(3-methylcyclopentyl)butanamide is CC1CCC(NC(=O)CC(C)c2ccc(Br)cc2)C1.
What is the InChIKey of 3-(4-bromophenyl)-N-(3-methylcyclopentyl)butanamide?
The InChIKey is OKLSHBYHNJGZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-11-3-8-15(9-11)18-16(19)10-12(2)13-4-6-14(17)7-5-13/h4-7,11-12,15H,3,8-10H2,1-2H3,(H,18,19).
What are the key properties of 3-(4-bromophenyl)-N-(3-methylcyclopentyl)butanamide?
3-(4-bromophenyl)-N-(3-methylcyclopentyl)butanamide has a molecular weight of 324.26 g/mol, XLogP of 4.25, 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-methylcyclopentyl)butanamide is sourced from PubChem (CID 114549884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).