3-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide

C19H19N3O3 — CID 8860986

IUPAC3-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cccc(O)c1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C19H19N3O3/c1-13(20-21-19(25)15-6-3-8-17(23)12-15)14-5-2-7-16(11-14)22-10-4-9-18(22)24/h2-3,5-8,11-12,23H,4,9-10H2,1H3,(H,21,25)/b20-13-
InChIKeyYQQUUPAJTPJQBW-MOSHPQCFSA-N
MW337.38 g/mol
LogP2.67
Rot. Bonds4

About 3-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide

3-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide (PubChem CID 8860986) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide
PubChem CID8860986
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name3-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cccc(O)c1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C19H19N3O3/c1-13(20-21-19(25)15-6-3-8-17(23)12-15)14-5-2-7-16(11-14)22-10-4-9-18(22)24/h2-3,5-8,11-12,23H,4,9-10H2,1H3,(H,21,25)/b20-13-
InChIKeyYQQUUPAJTPJQBW-MOSHPQCFSA-N
XLogP2.67
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide
CID 8826078
N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide
CID 8826557
N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
2-(2-oxoazepan-1-yl)-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide
CID 8862777
3-amino-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-5-phenylthiophene-2-carboxamide
CID 8862793
1-(3-hydroxyphenyl)pyrrolidin-2-one
CID 736761
3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 17126860
N-[1-(3-hydroxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 139767693
1-[3-[C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenyl]pyrrolidin-2-one
CID 71901547
4-methyl-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzenesulfonamide
CID 8826083
N-(2,6-difluorophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174706
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 135401367

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide?
The IUPAC name of 3-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide (CID 8860986) is 3-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide.
What is the SMILES notation for 3-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide?
The canonical SMILES for 3-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide is C/C(=N/NC(=O)c1cccc(O)c1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 3-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide?
The InChIKey is YQQUUPAJTPJQBW-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13(20-21-19(25)15-6-3-8-17(23)12-15)14-5-2-7-16(11-14)22-10-4-9-18(22)24/h2-3,5-8,11-12,23H,4,9-10H2,1H3,(H,21,25)/b20-13-.
What are the key properties of 3-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide?
3-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide has a molecular weight of 337.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide is sourced from PubChem (CID 8860986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).