(5-bromo-2-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone

C18H24BrNO — CID 65309174

IUPAC(5-bromo-2-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone
SMILESCc1ccc(Br)cc1C(=O)N1CCCC1C1CCCCC1
InChIInChI=1S/C18H24BrNO/c1-13-9-10-15(19)12-16(13)18(21)20-11-5-8-17(20)14-6-3-2-4-7-14/h9-10,12,14,17H,2-8,11H2,1H3
InChIKeyQWQYQQZUVKWNFW-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.94
Rot. Bonds2

About (5-bromo-2-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone

(5-bromo-2-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone (PubChem CID 65309174) has the molecular formula C18H24BrNO and a molecular weight of 350.30 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone
PubChem CID65309174
Molecular FormulaC18H24BrNO
Molecular Weight350.30 g/mol
Exact Mass349.10
IUPAC Name(5-bromo-2-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone
SMILESCc1ccc(Br)cc1C(=O)N1CCCC1C1CCCCC1
InChIInChI=1S/C18H24BrNO/c1-13-9-10-15(19)12-16(13)18(21)20-11-5-8-17(20)14-6-3-2-4-7-14/h9-10,12,14,17H,2-8,11H2,1H3
InChIKeyQWQYQQZUVKWNFW-UHFFFAOYSA-N
XLogP4.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 65308017
(5-bromo-2-methylphenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 65309438
(5-bromo-2-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 65309657
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(2-bromo-5-methylphenyl)methanone
CID 81109880
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-bromo-2-fluorophenyl)methanone
CID 65320678
1-[1-(5-bromo-2-methylbenzoyl)piperidin-2-yl]propan-2-one
CID 79548881
[2-(1-aminoethyl)piperidin-1-yl]-(5-bromo-2-methylphenyl)methanone;hydrochloride
CID 119435193
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 8803000
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 8802995
(5-bromo-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 65309796
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(5-bromo-2-chloro-3-pyridinyl)methanone
CID 94334915
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(2-bromo-5-sulfanylphenyl)methanone
CID 107036666

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-bromo-2-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone (CID 65309174) is (5-bromo-2-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone is Cc1ccc(Br)cc1C(=O)N1CCCC1C1CCCCC1.
What is the InChIKey of (5-bromo-2-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone?
The InChIKey is QWQYQQZUVKWNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO/c1-13-9-10-15(19)12-16(13)18(21)20-11-5-8-17(20)14-6-3-2-4-7-14/h9-10,12,14,17H,2-8,11H2,1H3.
What are the key properties of (5-bromo-2-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone?
(5-bromo-2-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone has a molecular weight of 350.30 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 65309174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).