4-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide

C25H30ClN3O5 — CID 26701955

IUPAC4-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1
InChIInChI=1S/C25H30ClN3O5/c1-3-33-22-16-21(28-10-12-32-13-11-28)23(34-4-2)15-19(22)27-25(31)17-7-8-18(26)20(14-17)29-9-5-6-24(29)30/h7-8,14-16H,3-6,9-13H2,1-2H3,(H,27,31)
InChIKeyKRXVFUCAJTYRDC-UHFFFAOYSA-N
MW487.98 g/mol
LogP4.35
Rot. Bonds8

About 4-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide

4-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 26701955) has the molecular formula C25H30ClN3O5 and a molecular weight of 487.98 g/mol. Its IUPAC name is 4-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID26701955
Molecular FormulaC25H30ClN3O5
Molecular Weight487.98 g/mol
Exact Mass487.19
IUPAC Name4-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1
InChIInChI=1S/C25H30ClN3O5/c1-3-33-22-16-21(28-10-12-32-13-11-28)23(34-4-2)15-19(22)27-25(31)17-7-8-18(26)20(14-17)29-9-5-6-24(29)30/h7-8,14-16H,3-6,9-13H2,1-2H3,(H,27,31)
InChIKeyKRXVFUCAJTYRDC-UHFFFAOYSA-N
XLogP4.35
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.98
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide
CID 4853152
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-methoxy-4-methylbenzamide
CID 26690586
4-chloro-N-(5-chloro-2-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9068775
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(difluoromethoxy)benzamide
CID 22830164
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 2469905
4-(4-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-oxobutanamide
CID 26664489
3-ethoxy-4-methoxy-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17497049
methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzoate
CID 18200069
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 2439401
4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042083
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 7395843
4-chloro-N-(4-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042234

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 4-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide (CID 26701955) is 4-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1.
What is the InChIKey of 4-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is KRXVFUCAJTYRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O5/c1-3-33-22-16-21(28-10-12-32-13-11-28)23(34-4-2)15-19(22)27-25(31)17-7-8-18(26)20(14-17)29-9-5-6-24(29)30/h7-8,14-16H,3-6,9-13H2,1-2H3,(H,27,31).
What are the key properties of 4-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
4-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 487.98 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 26701955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).