1-[1-(4-bromophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxamide

C16H19BrN2O2 — CID 71894711

IUPAC1-[1-(4-bromophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)C1
InChIInChI=1S/C16H19BrN2O2/c17-13-4-2-12(3-5-13)16(7-1-8-16)15(21)19-9-6-11(10-19)14(18)20/h2-5,11H,1,6-10H2,(H2,18,20)
InChIKeyXOJYUJUQSSQLEW-UHFFFAOYSA-N
MW351.24 g/mol
LogP2.20
Rot. Bonds3

About 1-[1-(4-bromophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxamide

1-[1-(4-bromophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxamide (PubChem CID 71894711) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxamide
PubChem CID71894711
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name1-[1-(4-bromophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)C1
InChIInChI=1S/C16H19BrN2O2/c17-13-4-2-12(3-5-13)16(7-1-8-16)15(21)19-9-6-11(10-19)14(18)20/h2-5,11H,1,6-10H2,(H2,18,20)
InChIKeyXOJYUJUQSSQLEW-UHFFFAOYSA-N
XLogP2.20
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxamide
CID 56813691
azepan-1-yl-[1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidin-4-yl]methanone
CID 55554449
1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid
CID 119167254
(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone
CID 119375691
(3-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone;hydrochloride
CID 119380404
(3R)-1-[1-(4-tert-butylphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxamide
CID 95580273
[1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 60715919
[1-(4-bromophenyl)cyclobutyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562761
[1-(4-bromophenyl)cyclobutyl]-(4-methoxypiperidin-1-yl)methanone
CID 55555458
2-[1-[1-(4-bromophenyl)cyclopentanecarbonyl]piperidin-4-yl]acetic acid
CID 119177843
(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclopropyl]methanone;hydrochloride
CID 119375609
[1-(4-bromophenyl)cyclopropyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900531

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[1-(4-bromophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxamide (CID 71894711) is 1-[1-(4-bromophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[1-(4-bromophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[1-(4-bromophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxamide is NC(=O)C1CCN(C(=O)C2(c3ccc(Br)cc3)CCC2)C1.
What is the InChIKey of 1-[1-(4-bromophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxamide?
The InChIKey is XOJYUJUQSSQLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c17-13-4-2-12(3-5-13)16(7-1-8-16)15(21)19-9-6-11(10-19)14(18)20/h2-5,11H,1,6-10H2,(H2,18,20).
What are the key properties of 1-[1-(4-bromophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxamide?
1-[1-(4-bromophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxamide has a molecular weight of 351.24 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 71894711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).