N'-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide

C19H18ClN3O3 — CID 8930114

IUPACN'-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)N/N=C\c1ccccc1OCc1cccc(Cl)c1
InChIInChI=1S/C19H18ClN3O3/c1-2-10-21-18(24)19(25)23-22-12-15-7-3-4-9-17(15)26-13-14-6-5-8-16(20)11-14/h2-9,11-12H,1,10,13H2,(H,21,24)(H,23,25)/b22-12-
InChIKeyMJCBVIDAHWUMJP-UUYOSTAYSA-N
MW371.82 g/mol
LogP2.67
Rot. Bonds7

About N'-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide

N'-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide (PubChem CID 8930114) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N'-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide
PubChem CID8930114
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN'-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)N/N=C\c1ccccc1OCc1cccc(Cl)c1
InChIInChI=1S/C19H18ClN3O3/c1-2-10-21-18(24)19(25)23-22-12-15-7-3-4-9-17(15)26-13-14-6-5-8-16(20)11-14/h2-9,11-12H,1,10,13H2,(H,21,24)(H,23,25)/b22-12-
InChIKeyMJCBVIDAHWUMJP-UUYOSTAYSA-N
XLogP2.67
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.67
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide
CID 8930207
N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8931109
[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 6876815
1-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylthiourea
CID 3668306
N-benzyl-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 8903011
N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 110339527
3-acetamido-N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3974283
N-butyl-N'-[(Z)-[2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 8903006
N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 2249697
N-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126394512
N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide
CID 4684451
N'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-N-prop-2-enyloxamide
CID 8901914

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide?
The IUPAC name of N'-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide (CID 8930114) is N'-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)N/N=C\c1ccccc1OCc1cccc(Cl)c1.
What is the InChIKey of N'-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide?
The InChIKey is MJCBVIDAHWUMJP-UUYOSTAYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-2-10-21-18(24)19(25)23-22-12-15-7-3-4-9-17(15)26-13-14-6-5-8-16(20)11-14/h2-9,11-12H,1,10,13H2,(H,21,24)(H,23,25)/b22-12-.
What are the key properties of N'-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide?
N'-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide has a molecular weight of 371.82 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide is sourced from PubChem (CID 8930114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).