2-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide

C18H16ClN3O5 — CID 7687142

IUPAC2-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1N1CCCC1=O
InChIInChI=1S/C18H16ClN3O5/c1-27-16-7-4-11(9-15(16)21-8-2-3-17(21)23)20-18(24)13-6-5-12(22(25)26)10-14(13)19/h4-7,9-10H,2-3,8H2,1H3,(H,20,24)
InChIKeyKIHKGGNMWHVBEA-UHFFFAOYSA-N
MW389.80 g/mol
LogP3.64
Rot. Bonds5

About 2-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide

2-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide (PubChem CID 7687142) has the molecular formula C18H16ClN3O5 and a molecular weight of 389.80 g/mol. Its IUPAC name is 2-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
PubChem CID7687142
Molecular FormulaC18H16ClN3O5
Molecular Weight389.80 g/mol
Exact Mass389.08
IUPAC Name2-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1N1CCCC1=O
InChIInChI=1S/C18H16ClN3O5/c1-27-16-7-4-11(9-15(16)21-8-2-3-17(21)23)20-18(24)13-6-5-12(22(25)26)10-14(13)19/h4-7,9-10H,2-3,8H2,1H3,(H,20,24)
InChIKeyKIHKGGNMWHVBEA-UHFFFAOYSA-N
XLogP3.64
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.80
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
CID 7686600
2,4-dichloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687863
2,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686691
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5-nitro-2-phenoxybenzamide
CID 55758189
3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686645
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-methyl-4-nitrobenzamide
CID 7687075
4-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide
CID 55692147
N-(2-chloro-5-nitrophenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 30400695
(E)-3-(4-chloro-3-nitrophenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 55674794
2-chloro-4-nitro-N-[2-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]benzamide
CID 55396013
3,5-dimethoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687052

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide (CID 7687142) is 2-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide is COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1N1CCCC1=O.
What is the InChIKey of 2-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide?
The InChIKey is KIHKGGNMWHVBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O5/c1-27-16-7-4-11(9-15(16)21-8-2-3-17(21)23)20-18(24)13-6-5-12(22(25)26)10-14(13)19/h4-7,9-10H,2-3,8H2,1H3,(H,20,24).
What are the key properties of 2-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide?
2-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide has a molecular weight of 389.80 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide is sourced from PubChem (CID 7687142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).