N'-[(Z)-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide

C19H17ClFN3O3 — CID 8902799

IUPACN'-[(Z)-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide
SMILESO=C(N/N=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1)C(=O)NC1CC1
InChIInChI=1S/C19H17ClFN3O3/c20-16-9-13(10-22-24-19(26)18(25)23-15-6-7-15)3-8-17(16)27-11-12-1-4-14(21)5-2-12/h1-5,8-10,15H,6-7,11H2,(H,23,25)(H,24,26)/b22-10-
InChIKeyIQEWYGISLGUGHG-YVNNLAQVSA-N
MW389.81 g/mol
LogP2.79
Rot. Bonds6

About N'-[(Z)-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide

N'-[(Z)-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide (PubChem CID 8902799) has the molecular formula C19H17ClFN3O3 and a molecular weight of 389.81 g/mol. Its IUPAC name is N'-[(Z)-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide.

Molecular Properties

Compound NameN'-[(Z)-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide
PubChem CID8902799
Molecular FormulaC19H17ClFN3O3
Molecular Weight389.81 g/mol
Exact Mass389.09
IUPAC NameN'-[(Z)-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide
SMILESO=C(N/N=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1)C(=O)NC1CC1
InChIInChI=1S/C19H17ClFN3O3/c20-16-9-13(10-22-24-19(26)18(25)23-15-6-7-15)3-8-17(16)27-11-12-1-4-14(21)5-2-12/h1-5,8-10,15H,6-7,11H2,(H,23,25)(H,24,26)/b22-10-
InChIKeyIQEWYGISLGUGHG-YVNNLAQVSA-N
XLogP2.79
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.81
LogP ≤ 52.79
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

4-[[2-chloro-4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 8989479
N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-cyclopropyloxamide
CID 8931670
N'-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-N-methyloxamide
CID 8901800
N'-[(Z)-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-ethyloxamide
CID 8902259
N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
CID 8931675
N'-[(Z)-[3-chloro-4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126266403
N-cycloheptyl-N'-[(Z)-(3,4-dichlorophenyl)methylideneamino]oxamide
CID 6290483
N-cyclopropyl-N'-[(Z)-[3-ethoxy-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126257689
N-(4-fluorophenyl)-N'-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 4171163
N'-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide
CID 8930334
[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 4179094
N'-[(Z)-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide
CID 8930270

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide?
The IUPAC name of N'-[(Z)-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide (CID 8902799) is N'-[(Z)-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide.
What is the SMILES notation for N'-[(Z)-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide?
The canonical SMILES for N'-[(Z)-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide is O=C(N/N=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1)C(=O)NC1CC1.
What is the InChIKey of N'-[(Z)-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide?
The InChIKey is IQEWYGISLGUGHG-YVNNLAQVSA-N. The full InChI is InChI=1S/C19H17ClFN3O3/c20-16-9-13(10-22-24-19(26)18(25)23-15-6-7-15)3-8-17(16)27-11-12-1-4-14(21)5-2-12/h1-5,8-10,15H,6-7,11H2,(H,23,25)(H,24,26)/b22-10-.
What are the key properties of N'-[(Z)-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide?
N'-[(Z)-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide has a molecular weight of 389.81 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide is sourced from PubChem (CID 8902799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).