3,4-dichloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide

C12H12Cl2N2O2 — CID 110736500

IUPAC3,4-dichloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
SMILESCN1CC(NC(=O)c2ccc(Cl)c(Cl)c2)CC1=O
InChIInChI=1S/C12H12Cl2N2O2/c1-16-6-8(5-11(16)17)15-12(18)7-2-3-9(13)10(14)4-7/h2-4,8H,5-6H2,1H3,(H,15,18)
InChIKeyCUPCKJFTXOPXTJ-UHFFFAOYSA-N
MW287.15 g/mol
LogP1.95
Rot. Bonds2

About 3,4-dichloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide

3,4-dichloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide (PubChem CID 110736500) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is 3,4-dichloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
PubChem CID110736500
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC Name3,4-dichloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
SMILESCN1CC(NC(=O)c2ccc(Cl)c(Cl)c2)CC1=O
InChIInChI=1S/C12H12Cl2N2O2/c1-16-6-8(5-11(16)17)15-12(18)7-2-3-9(13)10(14)4-7/h2-4,8H,5-6H2,1H3,(H,15,18)
InChIKeyCUPCKJFTXOPXTJ-UHFFFAOYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoic acid
CID 119184714
N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736486
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylbenzamide
CID 110736530
methyl 3-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoate
CID 60616666
2-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)benzamide
CID 45241383
4-bromo-2-chloro-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzamide
CID 95287363
3,4-dichloro-N-(4-oxocyclohexyl)benzamide
CID 43652866
5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 64670220
2-chloro-6-fluoro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736524
N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-4-(5-oxo-1H-tetrazol-4-yl)benzamide
CID 166337265
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 60616745
6-chloro-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 28823587

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide?
The IUPAC name of 3,4-dichloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide (CID 110736500) is 3,4-dichloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide is CN1CC(NC(=O)c2ccc(Cl)c(Cl)c2)CC1=O.
What is the InChIKey of 3,4-dichloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide?
The InChIKey is CUPCKJFTXOPXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c1-16-6-8(5-11(16)17)15-12(18)7-2-3-9(13)10(14)4-7/h2-4,8H,5-6H2,1H3,(H,15,18).
What are the key properties of 3,4-dichloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide?
3,4-dichloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide has a molecular weight of 287.15 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide is sourced from PubChem (CID 110736500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).