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

C18H16ClN3O4 — CID 55414254

IUPACN-(4-chloro-3-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C18H16ClN3O4/c19-15-7-6-14(10-16(15)22(25)26)20-18(24)13-4-1-3-12(9-13)11-21-8-2-5-17(21)23/h1,3-4,6-7,9-10H,2,5,8,11H2,(H,20,24)
InChIKeyYUBABTWYYWEBDM-UHFFFAOYSA-N
MW373.80 g/mol
LogP3.62
Rot. Bonds5

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

N-(4-chloro-3-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 55414254) has the molecular formula C18H16ClN3O4 and a molecular weight of 373.80 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID55414254
Molecular FormulaC18H16ClN3O4
Molecular Weight373.80 g/mol
Exact Mass373.08
IUPAC NameN-(4-chloro-3-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C18H16ClN3O4/c19-15-7-6-14(10-16(15)22(25)26)20-18(24)13-4-1-3-12(9-13)11-21-8-2-5-17(21)23/h1,3-4,6-7,9-10H,2,5,8,11H2,(H,20,24)
InChIKeyYUBABTWYYWEBDM-UHFFFAOYSA-N
XLogP3.62
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 53.62
H-Bond Donors ≤ 51
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

N-(2-chlorophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9032159
4-amino-3-nitro-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
CID 49412629
N-(2,3-dichlorophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51219042
N-(2-methyl-5-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 36663059
N-(4-methyl-3-nitrophenyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560572
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 134062959
N-(3,4-dipropoxyphenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9376524
methyl 2-[[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoyl]amino]acetate
CID 37007748
3-amino-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
CID 119759695
N-(2-bromophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 36662906
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 46584276
3-[(2-oxopyrrolidin-1-yl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 51229689

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 55414254) is N-(4-chloro-3-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(CN2CCCC2=O)c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is YUBABTWYYWEBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4/c19-15-7-6-14(10-16(15)22(25)26)20-18(24)13-4-1-3-12(9-13)11-21-8-2-5-17(21)23/h1,3-4,6-7,9-10H,2,5,8,11H2,(H,20,24).
What are the key properties of N-(4-chloro-3-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-(4-chloro-3-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 373.80 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 55414254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).