N-(2,4-dichlorophenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide

C22H15Cl2N3O3 — CID 135423153

IUPACN-(2,4-dichlorophenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cc2ccc(O)cc2oc1=NNc1ccccc1
InChIInChI=1S/C22H15Cl2N3O3/c23-14-7-9-19(18(24)11-14)25-21(29)17-10-13-6-8-16(28)12-20(13)30-22(17)27-26-15-4-2-1-3-5-15/h1-12,26,28H,(H,25,29)
InChIKeyBDXPHUVIJSGJLK-UHFFFAOYSA-N
MW440.29 g/mol
LogP5.63
Rot. Bonds4

About N-(2,4-dichlorophenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide

N-(2,4-dichlorophenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide (PubChem CID 135423153) has the molecular formula C22H15Cl2N3O3 and a molecular weight of 440.29 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide
PubChem CID135423153
Molecular FormulaC22H15Cl2N3O3
Molecular Weight440.29 g/mol
Exact Mass439.05
IUPAC NameN-(2,4-dichlorophenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cc2ccc(O)cc2oc1=NNc1ccccc1
InChIInChI=1S/C22H15Cl2N3O3/c23-14-7-9-19(18(24)11-14)25-21(29)17-10-13-6-8-16(28)12-20(13)30-22(17)27-26-15-4-2-1-3-5-15/h1-12,26,28H,(H,25,29)
InChIKeyBDXPHUVIJSGJLK-UHFFFAOYSA-N
XLogP5.63
TPSA86.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.29
LogP ≤ 55.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-N-(2,4-dichlorophenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide
CID 135641243
7-hydroxy-N-(2-methoxyphenyl)-2-(phenylhydrazinylidene)chromene-3-carboxamide
CID 135468785
(2E)-2-[(4-bromophenyl)hydrazinylidene]-N-(3-chlorophenyl)-7-hydroxychromene-3-carboxamide
CID 136772148
N-(3-ethoxyphenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide
CID 135457285
2-(5-chloro-2-methylphenyl)imino-N-phenylchromene-3-carboxamide
CID 53334867
2-[(2,4-dichlorophenyl)carbamoyl]benzoic acid
CID 3883439
2-(4-chlorophenyl)imino-7-hydroxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135631616
2-amino-N-(2,4-dichlorophenyl)-5-hydroxybenzamide
CID 107073840
N-(2,4-dichlorophenyl)-2-[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]benzamide
CID 5150334
2-(3-chlorophenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631655
7-hydroxy-2-hydroxyimino-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 135473864
2-(5-chloro-2-fluorophenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135990507

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide (CID 135423153) is N-(2,4-dichlorophenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1cc2ccc(O)cc2oc1=NNc1ccccc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide?
The InChIKey is BDXPHUVIJSGJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N3O3/c23-14-7-9-19(18(24)11-14)25-21(29)17-10-13-6-8-16(28)12-20(13)30-22(17)27-26-15-4-2-1-3-5-15/h1-12,26,28H,(H,25,29).
What are the key properties of N-(2,4-dichlorophenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide?
N-(2,4-dichlorophenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide has a molecular weight of 440.29 g/mol, XLogP of 5.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide is sourced from PubChem (CID 135423153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).