N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]oxamide

C16H14ClN3O4 — CID 136891004

IUPACN-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)N/N=C\c1ccc(O)cc1O
InChIInChI=1S/C16H14ClN3O4/c1-9-12(17)3-2-4-13(9)19-15(23)16(24)20-18-8-10-5-6-11(21)7-14(10)22/h2-8,21-22H,1H3,(H,19,23)(H,20,24)/b18-8-
InChIKeyVEOOTAASGVUCBX-LSCVHKIXSA-N
MW347.76 g/mol
LogP2.15
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]oxamide

N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]oxamide (PubChem CID 136891004) has the molecular formula C16H14ClN3O4 and a molecular weight of 347.76 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
PubChem CID136891004
Molecular FormulaC16H14ClN3O4
Molecular Weight347.76 g/mol
Exact Mass347.07
IUPAC NameN-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)N/N=C\c1ccc(O)cc1O
InChIInChI=1S/C16H14ClN3O4/c1-9-12(17)3-2-4-13(9)19-15(23)16(24)20-18-8-10-5-6-11(21)7-14(10)22/h2-8,21-22H,1H3,(H,19,23)(H,20,24)/b18-8-
InChIKeyVEOOTAASGVUCBX-LSCVHKIXSA-N
XLogP2.15
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.76
LogP ≤ 52.15
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': '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,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
N-(3-chloro-2-methylphenyl)-N'-[(4-chlorophenyl)methylideneamino]oxamide
CID 3686898
N-(3-chloro-2-methylphenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 135607216
1-(3-chloro-2-methylphenyl)-3-[(Z)-(4-hydroxyphenyl)methylideneamino]urea
CID 135545371
N-(3-chloro-2-methylphenyl)-N'-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4105886
N-(3-chloro-2-methylphenyl)-N'-[(6-chloro-4-oxochromen-3-yl)methylideneamino]oxamide
CID 4227337
N'-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
CID 135684849
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6030367
2-(3-chloro-2-methylanilino)-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135560101
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-methylbut-2-enamide
CID 4531910
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide
CID 6115400
[4-bromo-2-[(E)-[[2-(3-chloro-2-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 45055255

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]oxamide (CID 136891004) is N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]oxamide is Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C\c1ccc(O)cc1O.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]oxamide?
The InChIKey is VEOOTAASGVUCBX-LSCVHKIXSA-N. The full InChI is InChI=1S/C16H14ClN3O4/c1-9-12(17)3-2-4-13(9)19-15(23)16(24)20-18-8-10-5-6-11(21)7-14(10)22/h2-8,21-22H,1H3,(H,19,23)(H,20,24)/b18-8-.
What are the key properties of N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]oxamide?
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]oxamide has a molecular weight of 347.76 g/mol, XLogP of 2.15, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 136891004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).