N-(3-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide

C20H16ClN3O3 — CID 135607216

IUPACN-(3-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C20H16ClN3O3/c1-12-16(21)7-4-8-17(12)23-19(26)20(27)24-22-11-15-14-6-3-2-5-13(14)9-10-18(15)25/h2-11,25H,1H3,(H,23,26)(H,24,27)/b22-11+
InChIKeyGHLOYSSODXEPDM-SSDVNMTOSA-N
MW381.82 g/mol
LogP3.60
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide

N-(3-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide (PubChem CID 135607216) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
PubChem CID135607216
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC NameN-(3-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C20H16ClN3O3/c1-12-16(21)7-4-8-17(12)23-19(26)20(27)24-22-11-15-14-6-3-2-5-13(14)9-10-18(15)25/h2-11,25H,1H3,(H,23,26)(H,24,27)/b22-11+
InChIKeyGHLOYSSODXEPDM-SSDVNMTOSA-N
XLogP3.60
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.60
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-(3-chloro-2-methylphenyl)-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]thiourea
CID 135702151
N-(3-chloro-2-methylphenyl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135758597
N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 135607051
N-(2,5-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 135509047
N-(2-fluorophenyl)-N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 136715554
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 136739213
N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 2643236
N-(3-chloro-2-methylphenyl)-N'-[(4-chlorophenyl)methylideneamino]oxamide
CID 3686898
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-propan-2-yloxamide
CID 136764623
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 136891004
[1-[[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 4988775

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide (CID 135607216) is N-(3-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide is Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
The InChIKey is GHLOYSSODXEPDM-SSDVNMTOSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-12-16(21)7-4-8-17(12)23-19(26)20(27)24-22-11-15-14-6-3-2-5-13(14)9-10-18(15)25/h2-11,25H,1H3,(H,23,26)(H,24,27)/b22-11+.
What are the key properties of N-(3-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide?
N-(3-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide has a molecular weight of 381.82 g/mol, XLogP of 3.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide is sourced from PubChem (CID 135607216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).