N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(3-methoxyphenyl)methylideneamino]oxamide

C17H13ClF3N3O3 — CID 4166909

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(3-methoxyphenyl)methylideneamino]oxamide
SMILESCOc1cccc(C=NNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C17H13ClF3N3O3/c1-27-12-4-2-3-10(7-12)9-22-24-16(26)15(25)23-14-8-11(17(19,20)21)5-6-13(14)18/h2-9H,1H3,(H,23,25)(H,24,26)
InChIKeyVOBCMBLWVRBDKC-UHFFFAOYSA-N
MW399.76 g/mol
LogP3.46
Rot. Bonds4

About N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(3-methoxyphenyl)methylideneamino]oxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(3-methoxyphenyl)methylideneamino]oxamide (PubChem CID 4166909) has the molecular formula C17H13ClF3N3O3 and a molecular weight of 399.76 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(3-methoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(3-methoxyphenyl)methylideneamino]oxamide
PubChem CID4166909
Molecular FormulaC17H13ClF3N3O3
Molecular Weight399.76 g/mol
Exact Mass399.06
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(3-methoxyphenyl)methylideneamino]oxamide
SMILESCOc1cccc(C=NNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C17H13ClF3N3O3/c1-27-12-4-2-3-10(7-12)9-22-24-16(26)15(25)23-14-8-11(17(19,20)21)5-6-13(14)18/h2-9H,1H3,(H,23,25)(H,24,26)
InChIKeyVOBCMBLWVRBDKC-UHFFFAOYSA-N
XLogP3.46
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.76
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-chloro-5-(trifluoromethyl)phenyl]-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 135679282
[3-[[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 3650298
[2-[(E)-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-methoxybenzoate
CID 19660394
N-(2-fluorophenyl)-N'-[(Z)-(3-methoxyphenyl)methylideneamino]oxamide
CID 6174024
N-(3-chloro-4-methylphenyl)-N'-[(3-methoxyphenyl)methylideneamino]oxamide
CID 4060161
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 5203733
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide
CID 5086061
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 19659240
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4053036
N'-[(Z)-[3-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)oxamide
CID 126180453
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-methoxyanilino)propanamide
CID 109039562
[3-[(E)-[[2-oxo-2-[4-(trifluoromethyl)anilino]acetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 19658254

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(3-methoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(3-methoxyphenyl)methylideneamino]oxamide (CID 4166909) is N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(3-methoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(3-methoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(3-methoxyphenyl)methylideneamino]oxamide is COc1cccc(C=NNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(3-methoxyphenyl)methylideneamino]oxamide?
The InChIKey is VOBCMBLWVRBDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O3/c1-27-12-4-2-3-10(7-12)9-22-24-16(26)15(25)23-14-8-11(17(19,20)21)5-6-13(14)18/h2-9H,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(3-methoxyphenyl)methylideneamino]oxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(3-methoxyphenyl)methylideneamino]oxamide has a molecular weight of 399.76 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(3-methoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 4166909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).