1-(4-bromo-3-chlorobenzoyl)pyrrolidine-3-carboxamide

C12H12BrClN2O2 — CID 113259113

IUPAC1-(4-bromo-3-chlorobenzoyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(Br)c(Cl)c2)C1
InChIInChI=1S/C12H12BrClN2O2/c13-9-2-1-7(5-10(9)14)12(18)16-4-3-8(6-16)11(15)17/h1-2,5,8H,3-4,6H2,(H2,15,17)
InChIKeySVWWUBVSYIGZLW-UHFFFAOYSA-N
MW331.60 g/mol
LogP2.05
Rot. Bonds2

About 1-(4-bromo-3-chlorobenzoyl)pyrrolidine-3-carboxamide

1-(4-bromo-3-chlorobenzoyl)pyrrolidine-3-carboxamide (PubChem CID 113259113) has the molecular formula C12H12BrClN2O2 and a molecular weight of 331.60 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorobenzoyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-3-chlorobenzoyl)pyrrolidine-3-carboxamide
PubChem CID113259113
Molecular FormulaC12H12BrClN2O2
Molecular Weight331.60 g/mol
Exact Mass329.98
IUPAC Name1-(4-bromo-3-chlorobenzoyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(Br)c(Cl)c2)C1
InChIInChI=1S/C12H12BrClN2O2/c13-9-2-1-7(5-10(9)14)12(18)16-4-3-8(6-16)11(15)17/h1-2,5,8H,3-4,6H2,(H2,15,17)
InChIKeySVWWUBVSYIGZLW-UHFFFAOYSA-N
XLogP2.05
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.60
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-chlorobenzoyl)piperidine-3-carboxamide
CID 80961813
1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxamide
CID 80948574
(4-bromo-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 81002096
azocan-1-yl-(4-bromo-3-chlorophenyl)methanone
CID 80979397
(3S)-1-(4-bromo-3-chloro-5-methylbenzoyl)pyrrolidine-3-carboxamide
CID 124849667
methyl 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxylate
CID 80952645
(4-bromo-3-chlorophenyl)-(3-methylazetidin-1-yl)methanone
CID 172646480
1-(4-amino-3-methylbenzoyl)pyrrolidine-3-carboxamide
CID 114081648
1-(2,5-dibromobenzoyl)pyrrolidine-3-carboxamide
CID 104919326
1-(2-chloro-5-sulfanylbenzoyl)pyrrolidine-3-carboxamide
CID 114082529
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-bromo-3-chlorophenyl)methanone
CID 81005040
1-(3-chloro-4-hydroxybenzoyl)pyrrolidine-3-carboxylic acid
CID 63006768

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorobenzoyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-bromo-3-chlorobenzoyl)pyrrolidine-3-carboxamide (CID 113259113) is 1-(4-bromo-3-chlorobenzoyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromo-3-chlorobenzoyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-bromo-3-chlorobenzoyl)pyrrolidine-3-carboxamide is NC(=O)C1CCN(C(=O)c2ccc(Br)c(Cl)c2)C1.
What is the InChIKey of 1-(4-bromo-3-chlorobenzoyl)pyrrolidine-3-carboxamide?
The InChIKey is SVWWUBVSYIGZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O2/c13-9-2-1-7(5-10(9)14)12(18)16-4-3-8(6-16)11(15)17/h1-2,5,8H,3-4,6H2,(H2,15,17).
What are the key properties of 1-(4-bromo-3-chlorobenzoyl)pyrrolidine-3-carboxamide?
1-(4-bromo-3-chlorobenzoyl)pyrrolidine-3-carboxamide has a molecular weight of 331.60 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorobenzoyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113259113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).