N-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide

C25H22ClN3O4 — CID 155534286

IUPACN-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C25H22ClN3O4/c1-33-20-12-13-22(21(15-20)25(32)27-18-8-6-17(26)7-9-18)28-24(31)16-4-10-19(11-5-16)29-14-2-3-23(29)30/h4-13,15H,2-3,14H2,1H3,(H,27,32)(H,28,31)
InChIKeyPXENBYVNULGHOC-UHFFFAOYSA-N
MW463.92 g/mol
LogP4.98
Rot. Bonds6

About N-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide

N-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide (PubChem CID 155534286) has the molecular formula C25H22ClN3O4 and a molecular weight of 463.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide
PubChem CID155534286
Molecular FormulaC25H22ClN3O4
Molecular Weight463.92 g/mol
Exact Mass463.13
IUPAC NameN-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C25H22ClN3O4/c1-33-20-12-13-22(21(15-20)25(32)27-18-8-6-17(26)7-9-18)28-24(31)16-4-10-19(11-5-16)29-14-2-3-23(29)30/h4-13,15H,2-3,14H2,1H3,(H,27,32)(H,28,31)
InChIKeyPXENBYVNULGHOC-UHFFFAOYSA-N
XLogP4.98
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.92
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide?
The IUPAC name of N-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide (CID 155534286) is N-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide is COc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c(C(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide?
The InChIKey is PXENBYVNULGHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O4/c1-33-20-12-13-22(21(15-20)25(32)27-18-8-6-17(26)7-9-18)28-24(31)16-4-10-19(11-5-16)29-14-2-3-23(29)30/h4-13,15H,2-3,14H2,1H3,(H,27,32)(H,28,31).
What are the key properties of N-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide?
N-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide has a molecular weight of 463.92 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-methoxy-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide is sourced from PubChem (CID 155534286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).