N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide

C18H16N4O5 — CID 135421588

IUPACN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H16N4O5/c23-16-7-6-15(22(26)27)10-13(16)11-19-20-18(25)12-3-1-4-14(9-12)21-8-2-5-17(21)24/h1,3-4,6-7,9-11,23H,2,5,8H2,(H,20,25)/b19-11+
InChIKeyLQSARCWOKLSTSM-YBFXNURJSA-N
MW368.35 g/mol
LogP2.19
Rot. Bonds5

About N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 135421588) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID135421588
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H16N4O5/c23-16-7-6-15(22(26)27)10-13(16)11-19-20-18(25)12-3-1-4-14(9-12)21-8-2-5-17(21)24/h1,3-4,6-7,9-11,23H,2,5,8H2,(H,20,25)/b19-11+
InChIKeyLQSARCWOKLSTSM-YBFXNURJSA-N
XLogP2.19
TPSA125.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 6894458
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 135401367
N-(furan-2-ylmethylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 714311
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 135716312
N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 17047876
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 136912782
N-(2-methoxy-5-nitrophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55394131
3-(2-oxopyrrolidin-1-yl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 5331393
2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide
CID 3358963
4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 136919400
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
CID 135830603
4-acetamido-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 136662978

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 135421588) is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide is O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is LQSARCWOKLSTSM-YBFXNURJSA-N. The full InChI is InChI=1S/C18H16N4O5/c23-16-7-6-15(22(26)27)10-13(16)11-19-20-18(25)12-3-1-4-14(9-12)21-8-2-5-17(21)24/h1,3-4,6-7,9-11,23H,2,5,8H2,(H,20,25)/b19-11+.
What are the key properties of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 368.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 135421588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).