2,5-dichloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

C13H14Cl2N2O2 — CID 70640697

IUPAC2,5-dichloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H14Cl2N2O2/c14-9-3-4-11(15)10(7-9)13(19)16-8-12(18)17-5-1-2-6-17/h3-4,7H,1-2,5-6,8H2,(H,16,19)
InChIKeyYXMLEUPPPLVLGP-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.35
Rot. Bonds3

About 2,5-dichloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

2,5-dichloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 70640697) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
PubChem CID70640697
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC Name2,5-dichloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H14Cl2N2O2/c14-9-3-4-11(15)10(7-9)13(19)16-8-12(18)17-5-1-2-6-17/h3-4,7H,1-2,5-6,8H2,(H,16,19)
InChIKeyYXMLEUPPPLVLGP-UHFFFAOYSA-N
XLogP2.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112683751
N-[2-[4-(2,5-dichlorobenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108545003
4-chloro-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61177799
2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone
CID 28568208
3-amino-4-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112687673
2-chloro-4-(2-methylpropanoylamino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 70805291
3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 112695851
2,5-dichloro-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzamide
CID 30851129
2-chloro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 30543359
2,5-dichloro-N-[2-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-oxoethyl]benzamide;formic acid
CID 166599833
2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708781
2,4-dichloro-N-[2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 46472867

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 2,5-dichloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (CID 70640697) is 2,5-dichloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is O=C(NCC(=O)N1CCCC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is YXMLEUPPPLVLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c14-9-3-4-11(15)10(7-9)13(19)16-8-12(18)17-5-1-2-6-17/h3-4,7H,1-2,5-6,8H2,(H,16,19).
What are the key properties of 2,5-dichloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
2,5-dichloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 301.17 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 70640697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).