2-chloro-N-[2-[(2E)-2-[1-(2,4-dihydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide

C17H16ClN3O4 — CID 135648810

IUPAC2-chloro-N-[2-[(2E)-2-[1-(2,4-dihydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESC/C(=N\NC(=O)CNC(=O)c1ccccc1Cl)c1ccc(O)cc1O
InChIInChI=1S/C17H16ClN3O4/c1-10(12-7-6-11(22)8-15(12)23)20-21-16(24)9-19-17(25)13-4-2-3-5-14(13)18/h2-8,22-23H,9H2,1H3,(H,19,25)(H,21,24)/b20-10+
InChIKeyUIDAXGTWIDHLKC-KEBDBYFISA-N
MW361.79 g/mol
LogP2.02
Rot. Bonds5

About 2-chloro-N-[2-[(2E)-2-[1-(2,4-dihydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide

2-chloro-N-[2-[(2E)-2-[1-(2,4-dihydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 135648810) has the molecular formula C17H16ClN3O4 and a molecular weight of 361.79 g/mol. Its IUPAC name is 2-chloro-N-[2-[(2E)-2-[1-(2,4-dihydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(2E)-2-[1-(2,4-dihydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID135648810
Molecular FormulaC17H16ClN3O4
Molecular Weight361.79 g/mol
Exact Mass361.08
IUPAC Name2-chloro-N-[2-[(2E)-2-[1-(2,4-dihydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
SMILESC/C(=N\NC(=O)CNC(=O)c1ccccc1Cl)c1ccc(O)cc1O
InChIInChI=1S/C17H16ClN3O4/c1-10(12-7-6-11(22)8-15(12)23)20-21-16(24)9-19-17(25)13-4-2-3-5-14(13)18/h2-8,22-23H,9H2,1H3,(H,19,25)(H,21,24)/b20-10+
InChIKeyUIDAXGTWIDHLKC-KEBDBYFISA-N
XLogP2.02
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 708171
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
2,4-dichloro-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide
CID 135688205
2-amino-N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide
CID 137150949
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 143033643
1-(2-chlorophenyl)-3-(2,4-dihydroxyphenyl)propane-1,3-dione
CID 52916523
N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide
CID 137166775
N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-iodoanilino)acetamide
CID 137140814
2-chloro-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
CID 6042340
2-chloro-N-[2-oxo-2-[2-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
CID 129441454
2-chloro-N-[2-oxo-2-[2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
CID 15945772
N-[1-(2,4-dichlorophenyl)ethylideneamino]-2,4-dihydroxybenzamide
CID 3626855

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(2E)-2-[1-(2,4-dihydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[(2E)-2-[1-(2,4-dihydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide (CID 135648810) is 2-chloro-N-[2-[(2E)-2-[1-(2,4-dihydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[(2E)-2-[1-(2,4-dihydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[(2E)-2-[1-(2,4-dihydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide is C/C(=N\NC(=O)CNC(=O)c1ccccc1Cl)c1ccc(O)cc1O.
What is the InChIKey of 2-chloro-N-[2-[(2E)-2-[1-(2,4-dihydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is UIDAXGTWIDHLKC-KEBDBYFISA-N. The full InChI is InChI=1S/C17H16ClN3O4/c1-10(12-7-6-11(22)8-15(12)23)20-21-16(24)9-19-17(25)13-4-2-3-5-14(13)18/h2-8,22-23H,9H2,1H3,(H,19,25)(H,21,24)/b20-10+.
What are the key properties of 2-chloro-N-[2-[(2E)-2-[1-(2,4-dihydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide?
2-chloro-N-[2-[(2E)-2-[1-(2,4-dihydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 361.79 g/mol, XLogP of 2.02, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(2E)-2-[1-(2,4-dihydroxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 135648810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).