N-(4-chloro-2-methylphenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide

C19H20ClN3O2 — CID 6162635

IUPACN-(4-chloro-2-methylphenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide
SMILESCc1cc(Cl)ccc1NC(=O)C(=O)N/N=C\c1ccc(C(C)C)cc1
InChIInChI=1S/C19H20ClN3O2/c1-12(2)15-6-4-14(5-7-15)11-21-23-19(25)18(24)22-17-9-8-16(20)10-13(17)3/h4-12H,1-3H3,(H,22,24)(H,23,25)/b21-11-
InChIKeyUELSRFPVFRJUMS-NHDPSOOVSA-N
MW357.84 g/mol
LogP3.86
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide

N-(4-chloro-2-methylphenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide (PubChem CID 6162635) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide
PubChem CID6162635
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC NameN-(4-chloro-2-methylphenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide
SMILESCc1cc(Cl)ccc1NC(=O)C(=O)N/N=C\c1ccc(C(C)C)cc1
InChIInChI=1S/C19H20ClN3O2/c1-12(2)15-6-4-14(5-7-15)11-21-23-19(25)18(24)22-17-9-8-16(20)10-13(17)3/h4-12H,1-3H3,(H,22,24)(H,23,25)/b21-11-
InChIKeyUELSRFPVFRJUMS-NHDPSOOVSA-N
XLogP3.86
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 3969942
N-(4-chloro-2-methylphenyl)-N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]oxamide
CID 94832768
N-(2-chlorophenyl)-N'-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 46741746
N-(3,5-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 4123133
N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(5-chloro-2-methylphenyl)oxamide
CID 94850508
N-(2,3-dichlorophenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 92652543
N-(2,5-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide
CID 3500417
N-(4-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 3105099
N-(4-chloro-2-methylphenyl)-N'-[(Z)-(2-methoxyphenyl)methylideneamino]oxamide
CID 6058233
N-(4-chloro-2-methylphenyl)-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 4284877
1-(2-methylphenyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
CID 5420664
N-(4-chloro-2-methylphenyl)-N'-(propan-2-ylideneamino)oxamide
CID 3593007

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide (CID 6162635) is N-(4-chloro-2-methylphenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide is Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C\c1ccc(C(C)C)cc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide?
The InChIKey is UELSRFPVFRJUMS-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-12(2)15-6-4-14(5-7-15)11-21-23-19(25)18(24)22-17-9-8-16(20)10-13(17)3/h4-12H,1-3H3,(H,22,24)(H,23,25)/b21-11-.
What are the key properties of N-(4-chloro-2-methylphenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide?
N-(4-chloro-2-methylphenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide has a molecular weight of 357.84 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide is sourced from PubChem (CID 6162635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).