N-(3-methylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide

C26H25N3O3 — CID 55380712

IUPACN-(3-methylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(CN3CCCC3=O)cc2)c1
InChIInChI=1S/C26H25N3O3/c1-18-6-4-7-21(16-18)27-26(32)22-8-2-3-9-23(22)28-25(31)20-13-11-19(12-14-20)17-29-15-5-10-24(29)30/h2-4,6-9,11-14,16H,5,10,15,17H2,1H3,(H,27,32)(H,28,31)
InChIKeyNXDRLLVLBXDPKG-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.62
Rot. Bonds6

About N-(3-methylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide

N-(3-methylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide (PubChem CID 55380712) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide
PubChem CID55380712
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC NameN-(3-methylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(CN3CCCC3=O)cc2)c1
InChIInChI=1S/C26H25N3O3/c1-18-6-4-7-21(16-18)27-26(32)22-8-2-3-9-23(22)28-25(31)20-13-11-19(12-14-20)17-29-15-5-10-24(29)30/h2-4,6-9,11-14,16H,5,10,15,17H2,1H3,(H,27,32)(H,28,31)
InChIKeyNXDRLLVLBXDPKG-UHFFFAOYSA-N
XLogP4.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide
CID 55466192
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(3-propan-2-ylphenyl)benzamide
CID 8732907
ethyl 2-methyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoate
CID 28566722
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55750325
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2-piperidin-1-ylphenyl)benzamide
CID 32760714
N'-[2-(3-methylphenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
CID 55377578
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2,4,5-trichlorophenyl)benzamide
CID 94872752
2-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide;hydrochloride
CID 119945120
N-(5-methyl-1H-pyrazol-4-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 71935838
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 35203584
N-(2,5-dichlorophenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 28633234
2-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)benzamide
CID 29448368

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide?
The IUPAC name of N-(3-methylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide (CID 55380712) is N-(3-methylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide?
The canonical SMILES for N-(3-methylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide is Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(CN3CCCC3=O)cc2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide?
The InChIKey is NXDRLLVLBXDPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-18-6-4-7-21(16-18)27-26(32)22-8-2-3-9-23(22)28-25(31)20-13-11-19(12-14-20)17-29-15-5-10-24(29)30/h2-4,6-9,11-14,16H,5,10,15,17H2,1H3,(H,27,32)(H,28,31).
What are the key properties of N-(3-methylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide?
N-(3-methylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide has a molecular weight of 427.50 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide is sourced from PubChem (CID 55380712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).