N'-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide

C13H16ClN3O4 — CID 137022000

IUPACN'-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide
SMILESCOCCCNC(=O)C(=O)N/N=C\c1cc(Cl)ccc1O
InChIInChI=1S/C13H16ClN3O4/c1-21-6-2-5-15-12(19)13(20)17-16-8-9-7-10(14)3-4-11(9)18/h3-4,7-8,18H,2,5-6H2,1H3,(H,15,19)(H,17,20)/b16-8-
InChIKeyXPJDTVUUWHADIN-PXNMLYILSA-N
MW313.74 g/mol
LogP0.65
Rot. Bonds6

About N'-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide

N'-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide (PubChem CID 137022000) has the molecular formula C13H16ClN3O4 and a molecular weight of 313.74 g/mol. Its IUPAC name is N'-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide
PubChem CID137022000
Molecular FormulaC13H16ClN3O4
Molecular Weight313.74 g/mol
Exact Mass313.08
IUPAC NameN'-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide
SMILESCOCCCNC(=O)C(=O)N/N=C\c1cc(Cl)ccc1O
InChIInChI=1S/C13H16ClN3O4/c1-21-6-2-5-15-12(19)13(20)17-16-8-9-7-10(14)3-4-11(9)18/h3-4,7-8,18H,2,5-6H2,1H3,(H,15,19)(H,17,20)/b16-8-
InChIKeyXPJDTVUUWHADIN-PXNMLYILSA-N
XLogP0.65
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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'-[(Z)-(3-chloro-4-hydroxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide
CID 137022001
1-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-(2-methoxyethyl)thiourea
CID 135689902
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide
CID 135756952
N-(3-methoxypropyl)-N'-[(E)-(4-methylphenyl)methylideneamino]oxamide
CID 46741726
1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea
CID 135527074
[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid
CID 135408520
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CID 2254015
N-[2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 135842048
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(3-methoxypropyl)thiourea
CID 135452581
N-(3-methoxypropyl)-N'-[(E)-(4-methylsulfanylphenyl)methylideneamino]oxamide
CID 21212746
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 872770
N-(3-methoxypropyl)-N'-[(Z)-(4-methylsulfanylphenyl)methylideneamino]oxamide
CID 40558004

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide?
The IUPAC name of N'-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide (CID 137022000) is N'-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide.
What is the SMILES notation for N'-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide?
The canonical SMILES for N'-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide is COCCCNC(=O)C(=O)N/N=C\c1cc(Cl)ccc1O.
What is the InChIKey of N'-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide?
The InChIKey is XPJDTVUUWHADIN-PXNMLYILSA-N. The full InChI is InChI=1S/C13H16ClN3O4/c1-21-6-2-5-15-12(19)13(20)17-16-8-9-7-10(14)3-4-11(9)18/h3-4,7-8,18H,2,5-6H2,1H3,(H,15,19)(H,17,20)/b16-8-.
What are the key properties of N'-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide?
N'-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide has a molecular weight of 313.74 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypropyl)oxamide is sourced from PubChem (CID 137022000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).