4-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide

C23H20ClN3O3 — CID 60581284

IUPAC4-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)ccc1Oc1cccnc1
InChIInChI=1S/C23H20ClN3O3/c1-15-12-17(7-9-21(15)30-18-4-2-10-25-14-18)26-23(29)19-8-6-16(24)13-20(19)27-11-3-5-22(27)28/h2,4,6-10,12-14H,3,5,11H2,1H3,(H,26,29)
InChIKeySBNPPRPHJBLVDM-UHFFFAOYSA-N
MW421.88 g/mol
LogP5.21
Rot. Bonds5

About 4-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide

4-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 60581284) has the molecular formula C23H20ClN3O3 and a molecular weight of 421.88 g/mol. Its IUPAC name is 4-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID60581284
Molecular FormulaC23H20ClN3O3
Molecular Weight421.88 g/mol
Exact Mass421.12
IUPAC Name4-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)ccc1Oc1cccnc1
InChIInChI=1S/C23H20ClN3O3/c1-15-12-17(7-9-21(15)30-18-4-2-10-25-14-18)26-23(29)19-8-6-16(24)13-20(19)27-11-3-5-22(27)28/h2,4,6-10,12-14H,3,5,11H2,1H3,(H,26,29)
InChIKeySBNPPRPHJBLVDM-UHFFFAOYSA-N
XLogP5.21
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.88
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-4-pyridin-3-yloxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 60582009
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]pyridine-3-carbohydrazide
CID 36841106
5-chloro-2-methoxy-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686947
2,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686691
4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 38329748
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 35390097
2-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-4-nitrobenzamide
CID 60581315
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrazine-2-carboxamide
CID 42140131
2,4-dichloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687863
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686645
2-chloro-3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 131946801
N-(3,4-dimethoxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 17428588

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 4-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide (CID 60581284) is 4-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide is Cc1cc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)ccc1Oc1cccnc1.
What is the InChIKey of 4-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is SBNPPRPHJBLVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3/c1-15-12-17(7-9-21(15)30-18-4-2-10-25-14-18)26-23(29)19-8-6-16(24)13-20(19)27-11-3-5-22(27)28/h2,4,6-10,12-14H,3,5,11H2,1H3,(H,26,29).
What are the key properties of 4-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide?
4-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 421.88 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 60581284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).