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

C14H16BrClN2O2 — CID 80979299

IUPAC1-(4-bromo-3-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H16BrClN2O2/c1-17(2)14(20)12-4-3-7-18(12)13(19)9-5-6-10(15)11(16)8-9/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyPETUSAYQIPHPMP-UHFFFAOYSA-N
MW359.65 g/mol
LogP2.80
Rot. Bonds2

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

1-(4-bromo-3-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 80979299) has the molecular formula C14H16BrClN2O2 and a molecular weight of 359.65 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-3-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID80979299
Molecular FormulaC14H16BrClN2O2
Molecular Weight359.65 g/mol
Exact Mass358.01
IUPAC Name1-(4-bromo-3-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H16BrClN2O2/c1-17(2)14(20)12-4-3-7-18(12)13(19)9-5-6-10(15)11(16)8-9/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyPETUSAYQIPHPMP-UHFFFAOYSA-N
XLogP2.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.65
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60710234
1-(4-bromo-3-chlorobenzoyl)azepane-2-carboxylic acid
CID 81290541
1-(4-bromo-3-chlorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 81307263
1-(2,6-dichloropyridine-4-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60717068
1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575377
1-(5-amino-2-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575372
1-(3-chloro-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 63194302
1-(5-chloro-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60706860
N,N-dimethyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 43420149
(2S)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxylic acid
CID 822734
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-bromo-3-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide (CID 80979299) is 1-(4-bromo-3-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-bromo-3-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-bromo-3-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1C(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is PETUSAYQIPHPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O2/c1-17(2)14(20)12-4-3-7-18(12)13(19)9-5-6-10(15)11(16)8-9/h5-6,8,12H,3-4,7H2,1-2H3.
What are the key properties of 1-(4-bromo-3-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
1-(4-bromo-3-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 359.65 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 80979299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).