4-chloro-N-(3-chlorophenyl)-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C18H15Cl2N3O4 — CID 3576394

IUPAC4-chloro-N-(3-chlorophenyl)-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C1CCCN1CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Cl)c1
InChIInChI=1S/C18H15Cl2N3O4/c19-13-3-1-4-14(10-13)22(11-21-8-2-5-17(21)24)18(25)12-6-7-15(20)16(9-12)23(26)27/h1,3-4,6-7,9-10H,2,5,8,11H2
InChIKeyWFPBNTQUDNMIGJ-UHFFFAOYSA-N
MW408.24 g/mol
LogP4.13
Rot. Bonds5

About 4-chloro-N-(3-chlorophenyl)-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide

4-chloro-N-(3-chlorophenyl)-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 3576394) has the molecular formula C18H15Cl2N3O4 and a molecular weight of 408.24 g/mol. Its IUPAC name is 4-chloro-N-(3-chlorophenyl)-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-(3-chlorophenyl)-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID3576394
Molecular FormulaC18H15Cl2N3O4
Molecular Weight408.24 g/mol
Exact Mass407.04
IUPAC Name4-chloro-N-(3-chlorophenyl)-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C1CCCN1CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Cl)c1
InChIInChI=1S/C18H15Cl2N3O4/c19-13-3-1-4-14(10-13)22(11-21-8-2-5-17(21)24)18(25)12-6-7-15(20)16(9-12)23(26)27/h1,3-4,6-7,9-10H,2,5,8,11H2
InChIKeyWFPBNTQUDNMIGJ-UHFFFAOYSA-N
XLogP4.13
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.24
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-nitro-N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4098524
5-chloro-N-(3-chlorophenyl)-2-methoxy-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4582519
N-(2-fluorophenyl)-4-methyl-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4134618
4-[(4-nitrobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzamide
CID 3429807
N-(3-chloro-4-methylphenyl)-4-fluoro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4099523
N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-(trifluoromethyl)benzamide
CID 4082079
3,4-dimethoxy-N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4256667
N-(4-chloro-3-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55414254
3-methyl-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3340241
2-bromo-N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4275302
N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(trifluoromethyl)benzamide
CID 4175486
N-(3-chloro-4-fluorophenyl)-3,4,5-trimethoxy-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3429451

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chlorophenyl)-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of 4-chloro-N-(3-chlorophenyl)-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 3576394) is 4-chloro-N-(3-chlorophenyl)-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-N-(3-chlorophenyl)-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-N-(3-chlorophenyl)-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide is O=C1CCCN1CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Cl)c1.
What is the InChIKey of 4-chloro-N-(3-chlorophenyl)-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is WFPBNTQUDNMIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O4/c19-13-3-1-4-14(10-13)22(11-21-8-2-5-17(21)24)18(25)12-6-7-15(20)16(9-12)23(26)27/h1,3-4,6-7,9-10H,2,5,8,11H2.
What are the key properties of 4-chloro-N-(3-chlorophenyl)-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
4-chloro-N-(3-chlorophenyl)-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 408.24 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chlorophenyl)-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 3576394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).