(2E)-2-[(4-bromophenyl)hydrazinylidene]-N-(3-chlorophenyl)-7-hydroxychromene-3-carboxamide

C22H15BrClN3O3 — CID 136772148

IUPAC(2E)-2-[(4-bromophenyl)hydrazinylidene]-N-(3-chlorophenyl)-7-hydroxychromene-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc2ccc(O)cc2o/c1=N/Nc1ccc(Br)cc1
InChIInChI=1S/C22H15BrClN3O3/c23-14-5-7-16(8-6-14)26-27-22-19(10-13-4-9-18(28)12-20(13)30-22)21(29)25-17-3-1-2-15(24)11-17/h1-12,26,28H,(H,25,29)/b27-22+
InChIKeyRSOBXEWKLXTPDH-HPNDGRJYSA-N
MW484.74 g/mol
LogP5.73
Rot. Bonds4

About (2E)-2-[(4-bromophenyl)hydrazinylidene]-N-(3-chlorophenyl)-7-hydroxychromene-3-carboxamide

(2E)-2-[(4-bromophenyl)hydrazinylidene]-N-(3-chlorophenyl)-7-hydroxychromene-3-carboxamide (PubChem CID 136772148) has the molecular formula C22H15BrClN3O3 and a molecular weight of 484.74 g/mol. Its IUPAC name is (2E)-2-[(4-bromophenyl)hydrazinylidene]-N-(3-chlorophenyl)-7-hydroxychromene-3-carboxamide.

Molecular Properties

Compound Name(2E)-2-[(4-bromophenyl)hydrazinylidene]-N-(3-chlorophenyl)-7-hydroxychromene-3-carboxamide
PubChem CID136772148
Molecular FormulaC22H15BrClN3O3
Molecular Weight484.74 g/mol
Exact Mass483.00
IUPAC Name(2E)-2-[(4-bromophenyl)hydrazinylidene]-N-(3-chlorophenyl)-7-hydroxychromene-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc2ccc(O)cc2o/c1=N/Nc1ccc(Br)cc1
InChIInChI=1S/C22H15BrClN3O3/c23-14-5-7-16(8-6-14)26-27-22-19(10-13-4-9-18(28)12-20(13)30-22)21(29)25-17-3-1-2-15(24)11-17/h1-12,26,28H,(H,25,29)/b27-22+
InChIKeyRSOBXEWKLXTPDH-HPNDGRJYSA-N
XLogP5.73
TPSA86.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.74
LogP ≤ 55.73
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

N-(2,4-dichlorophenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide
CID 135423153
(2Z)-N-(2,4-dichlorophenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide
CID 135641243
N-(3-ethoxyphenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide
CID 135457285
7-hydroxy-N-(2-methoxyphenyl)-2-(phenylhydrazinylidene)chromene-3-carboxamide
CID 135468785
7-hydroxy-2-hydroxyimino-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 135473864
2-(3-chlorophenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631655
2-(4-chlorophenyl)imino-7-hydroxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135631616
7-hydroxy-N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide
CID 23730518
2-hydroxyimino-N-(3-methylphenyl)chromene-3-carboxamide
CID 4313217
2-(5-chloro-2-methylphenyl)imino-N-phenylchromene-3-carboxamide
CID 53334867
N-(4-bromophenyl)-2-(carbamothioylhydrazinylidene)-7-(diethylamino)chromene-3-carboxamide
CID 2316813
5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide
CID 17051414

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-bromophenyl)hydrazinylidene]-N-(3-chlorophenyl)-7-hydroxychromene-3-carboxamide?
The IUPAC name of (2E)-2-[(4-bromophenyl)hydrazinylidene]-N-(3-chlorophenyl)-7-hydroxychromene-3-carboxamide (CID 136772148) is (2E)-2-[(4-bromophenyl)hydrazinylidene]-N-(3-chlorophenyl)-7-hydroxychromene-3-carboxamide.
What is the SMILES notation for (2E)-2-[(4-bromophenyl)hydrazinylidene]-N-(3-chlorophenyl)-7-hydroxychromene-3-carboxamide?
The canonical SMILES for (2E)-2-[(4-bromophenyl)hydrazinylidene]-N-(3-chlorophenyl)-7-hydroxychromene-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1cc2ccc(O)cc2o/c1=N/Nc1ccc(Br)cc1.
What is the InChIKey of (2E)-2-[(4-bromophenyl)hydrazinylidene]-N-(3-chlorophenyl)-7-hydroxychromene-3-carboxamide?
The InChIKey is RSOBXEWKLXTPDH-HPNDGRJYSA-N. The full InChI is InChI=1S/C22H15BrClN3O3/c23-14-5-7-16(8-6-14)26-27-22-19(10-13-4-9-18(28)12-20(13)30-22)21(29)25-17-3-1-2-15(24)11-17/h1-12,26,28H,(H,25,29)/b27-22+.
What are the key properties of (2E)-2-[(4-bromophenyl)hydrazinylidene]-N-(3-chlorophenyl)-7-hydroxychromene-3-carboxamide?
(2E)-2-[(4-bromophenyl)hydrazinylidene]-N-(3-chlorophenyl)-7-hydroxychromene-3-carboxamide has a molecular weight of 484.74 g/mol, XLogP of 5.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-bromophenyl)hydrazinylidene]-N-(3-chlorophenyl)-7-hydroxychromene-3-carboxamide is sourced from PubChem (CID 136772148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).