N-(2,5-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide

C19H13Cl2N3O3 — CID 135509047

IUPACN-(2,5-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H13Cl2N3O3/c20-12-6-7-15(21)16(9-12)23-18(26)19(27)24-22-10-14-13-4-2-1-3-11(13)5-8-17(14)25/h1-10,25H,(H,23,26)(H,24,27)/b22-10+
InChIKeySHXVGSXNZHKFQP-LSHDLFTRSA-N
MW402.24 g/mol
LogP3.94
Rot. Bonds3

About N-(2,5-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide

N-(2,5-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide (PubChem CID 135509047) has the molecular formula C19H13Cl2N3O3 and a molecular weight of 402.24 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
PubChem CID135509047
Molecular FormulaC19H13Cl2N3O3
Molecular Weight402.24 g/mol
Exact Mass401.03
IUPAC NameN-(2,5-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H13Cl2N3O3/c20-12-6-7-15(21)16(9-12)23-18(26)19(27)24-22-10-14-13-4-2-1-3-11(13)5-8-17(14)25/h1-10,25H,(H,23,26)(H,24,27)/b22-10+
InChIKeySHXVGSXNZHKFQP-LSHDLFTRSA-N
XLogP3.94
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.24
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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-(2-chlorophenyl)-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 136815761
[1-[[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
CID 3470810
N-(2-fluorophenyl)-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 136715554
N-(3-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 135607216
N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 135607051
[1-[(Z)-[[2-(2,5-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 6026952
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 136739213
N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 2643236
2-(2,4-dichlorophenoxy)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135738463
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 6286421

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide (CID 135509047) is N-(2,5-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide is O=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
The InChIKey is SHXVGSXNZHKFQP-LSHDLFTRSA-N. The full InChI is InChI=1S/C19H13Cl2N3O3/c20-12-6-7-15(21)16(9-12)23-18(26)19(27)24-22-10-14-13-4-2-1-3-11(13)5-8-17(14)25/h1-10,25H,(H,23,26)(H,24,27)/b22-10+.
What are the key properties of N-(2,5-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
N-(2,5-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide has a molecular weight of 402.24 g/mol, XLogP of 3.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide is sourced from PubChem (CID 135509047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).