4-chloro-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide

C16H19ClN2O3 — CID 34751134

IUPAC4-chloro-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(Cl)cc1N1CCCC1=O
InChIInChI=1S/C16H19ClN2O3/c17-11-5-6-13(14(9-11)19-7-1-4-15(19)20)16(21)18-10-12-3-2-8-22-12/h5-6,9,12H,1-4,7-8,10H2,(H,18,21)/t12-/m0/s1
InChIKeyDUBPHYMRUJNIIA-LBPRGKRZSA-N
MW322.79 g/mol
LogP2.38
Rot. Bonds4

About 4-chloro-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide

4-chloro-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 34751134) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 4-chloro-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID34751134
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name4-chloro-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(Cl)cc1N1CCCC1=O
InChIInChI=1S/C16H19ClN2O3/c17-11-5-6-13(14(9-11)19-7-1-4-15(19)20)16(21)18-10-12-3-2-8-22-12/h5-6,9,12H,1-4,7-8,10H2,(H,18,21)/t12-/m0/s1
InChIKeyDUBPHYMRUJNIIA-LBPRGKRZSA-N
XLogP2.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 28690163
5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide
CID 47187984
4-chloro-2-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 789164
6-chloro-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 862279
4-chloro-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 55641931
2-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 43917168
4-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 32606773
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-piperidin-1-ylbenzamide
CID 9083960
4-chloro-N-[2-(2-fluorophenyl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 39996714
(3S)-1-(2,4-dichlorophenyl)-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 93330668
5-[(2,4-dichlorobenzoyl)amino]-N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylbenzamide
CID 5109469
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,4-dimethylbenzohydrazide
CID 9084885

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 4-chloro-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide (CID 34751134) is 4-chloro-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide is O=C(NC[C@@H]1CCCO1)c1ccc(Cl)cc1N1CCCC1=O.
What is the InChIKey of 4-chloro-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is DUBPHYMRUJNIIA-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c17-11-5-6-13(14(9-11)19-7-1-4-15(19)20)16(21)18-10-12-3-2-8-22-12/h5-6,9,12H,1-4,7-8,10H2,(H,18,21)/t12-/m0/s1.
What are the key properties of 4-chloro-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
4-chloro-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 322.79 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 34751134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).