1-(2-bromo-5-methylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide

C16H19BrN2O2 — CID 80973644

IUPAC1-(2-bromo-5-methylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESCc1ccc(Br)c(C(=O)N2CCCC2C(=O)NC2CC2)c1
InChIInChI=1S/C16H19BrN2O2/c1-10-4-7-13(17)12(9-10)16(21)19-8-2-3-14(19)15(20)18-11-5-6-11/h4,7,9,11,14H,2-3,5-6,8H2,1H3,(H,18,20)
InChIKeyXZPSLQFWQJVMPA-UHFFFAOYSA-N
MW351.24 g/mol
LogP2.64
Rot. Bonds3

About 1-(2-bromo-5-methylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide

1-(2-bromo-5-methylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 80973644) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 1-(2-bromo-5-methylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-bromo-5-methylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
PubChem CID80973644
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name1-(2-bromo-5-methylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESCc1ccc(Br)c(C(=O)N2CCCC2C(=O)NC2CC2)c1
InChIInChI=1S/C16H19BrN2O2/c1-10-4-7-13(17)12(9-10)16(21)19-8-2-3-14(19)15(20)18-11-5-6-11/h4,7,9,11,14H,2-3,5-6,8H2,1H3,(H,18,20)
InChIKeyXZPSLQFWQJVMPA-UHFFFAOYSA-N
XLogP2.64
TPSA49.41 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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-bromo-5-methylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide (CID 80973644) is 1-(2-bromo-5-methylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-bromo-5-methylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-bromo-5-methylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide is Cc1ccc(Br)c(C(=O)N2CCCC2C(=O)NC2CC2)c1.
What is the InChIKey of 1-(2-bromo-5-methylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is XZPSLQFWQJVMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-10-4-7-13(17)12(9-10)16(21)19-8-2-3-14(19)15(20)18-11-5-6-11/h4,7,9,11,14H,2-3,5-6,8H2,1H3,(H,18,20).
What are the key properties of 1-(2-bromo-5-methylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
1-(2-bromo-5-methylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 351.24 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 80973644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).