1-(3-bromo-4-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide

C15H19BrN2O3 — CID 60710234

IUPAC1-(3-bromo-4-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCCC2C(=O)N(C)C)cc1Br
InChIInChI=1S/C15H19BrN2O3/c1-17(2)15(20)12-5-4-8-18(12)14(19)10-6-7-13(21-3)11(16)9-10/h6-7,9,12H,4-5,8H2,1-3H3
InChIKeyABYWGAKDOIZVQQ-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.15
Rot. Bonds3

About 1-(3-bromo-4-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide

1-(3-bromo-4-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 60710234) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-bromo-4-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID60710234
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name1-(3-bromo-4-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCCC2C(=O)N(C)C)cc1Br
InChIInChI=1S/C15H19BrN2O3/c1-17(2)15(20)12-5-4-8-18(12)14(19)10-6-7-13(21-3)11(16)9-10/h6-7,9,12H,4-5,8H2,1-3H3
InChIKeyABYWGAKDOIZVQQ-UHFFFAOYSA-N
XLogP2.15
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 80979299
1-(3-bromo-4-methoxybenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041871
1-(2-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 42939595
1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575377
N,N-dimethyl-1-(3-phenoxybenzoyl)pyrrolidine-2-carboxamide
CID 134033098
1-(3-chloro-4-ethoxy-5-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 134045871
4-(3-bromo-4-methoxybenzoyl)thiomorpholine-3-carboxylic acid
CID 78980259
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(3-bromo-4-methoxyphenyl)methanone
CID 61344966
(3-bromo-4-methoxyphenyl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46421562
methyl (2R)-1-(3-iodo-4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 1226630
methyl 1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 43410118
1-(3-bromo-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 43241951

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-bromo-4-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide (CID 60710234) is 1-(3-bromo-4-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-bromo-4-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-bromo-4-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide is COc1ccc(C(=O)N2CCCC2C(=O)N(C)C)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is ABYWGAKDOIZVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-17(2)15(20)12-5-4-8-18(12)14(19)10-6-7-13(21-3)11(16)9-10/h6-7,9,12H,4-5,8H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
1-(3-bromo-4-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 355.23 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 60710234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).