2-chloro-N-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

C19H18ClN3O3 — CID 135615945

IUPAC2-chloro-N-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESC=CCc1cccc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)c1O
InChIInChI=1S/C19H18ClN3O3/c1-2-6-13-7-5-8-14(18(13)25)11-22-23-17(24)12-21-19(26)15-9-3-4-10-16(15)20/h2-5,7-11,25H,1,6,12H2,(H,21,26)(H,23,24)/b22-11+
InChIKeyKNBIJLNKKUKMRF-SSDVNMTOSA-N
MW371.82 g/mol
LogP2.65
Rot. Bonds7

About 2-chloro-N-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide

2-chloro-N-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 135615945) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-chloro-N-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID135615945
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name2-chloro-N-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESC=CCc1cccc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)c1O
InChIInChI=1S/C19H18ClN3O3/c1-2-6-13-7-5-8-14(18(13)25)11-22-23-17(24)12-21-19(26)15-9-3-4-10-16(15)20/h2-5,7-11,25H,1,6,12H2,(H,21,26)(H,23,24)/b22-11+
InChIKeyKNBIJLNKKUKMRF-SSDVNMTOSA-N
XLogP2.65
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 135715804
2-anilino-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135490294
N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]naphthalene-1-carboxamide
CID 136663063
4-butoxy-N-[2-[(2Z)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 136822713
2-(3-chloroanilino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135533730
2-(dimethylsulfamoylamino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135822145
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide
CID 5056113
N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide
CID 135472749
2-(2,6-dibromo-4-chloroanilino)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 136802230
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 5213050
2-(4-chloro-2-methylanilino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135421756
2-chloro-N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3436111

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 135615945) is 2-chloro-N-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is C=CCc1cccc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)c1O.
What is the InChIKey of 2-chloro-N-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is KNBIJLNKKUKMRF-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-2-6-13-7-5-8-14(18(13)25)11-22-23-17(24)12-21-19(26)15-9-3-4-10-16(15)20/h2-5,7-11,25H,1,6,12H2,(H,21,26)(H,23,24)/b22-11+.
What are the key properties of 2-chloro-N-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide?
2-chloro-N-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 371.82 g/mol, XLogP of 2.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(2E)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 135615945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).