N'-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide

C19H18ClN3O3 — CID 8930334

IUPACN'-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide
SMILESO=C(N/N=C\c1cccc(OCc2cccc(Cl)c2)c1)C(=O)NC1CC1
InChIInChI=1S/C19H18ClN3O3/c20-15-5-1-4-14(9-15)12-26-17-6-2-3-13(10-17)11-21-23-19(25)18(24)22-16-7-8-16/h1-6,9-11,16H,7-8,12H2,(H,22,24)(H,23,25)/b21-11-
InChIKeyFHLKEBFUKGFVNG-NHDPSOOVSA-N
MW371.82 g/mol
LogP2.65
Rot. Bonds6

About N'-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide

N'-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide (PubChem CID 8930334) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N'-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide.

Molecular Properties

Compound NameN'-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide
PubChem CID8930334
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN'-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide
SMILESO=C(N/N=C\c1cccc(OCc2cccc(Cl)c2)c1)C(=O)NC1CC1
InChIInChI=1S/C19H18ClN3O3/c20-15-5-1-4-14(9-15)12-26-17-6-2-3-13(10-17)11-21-23-19(25)18(24)22-16-7-8-16/h1-6,9-11,16H,7-8,12H2,(H,22,24)(H,23,25)/b21-11-
InChIKeyFHLKEBFUKGFVNG-NHDPSOOVSA-N
XLogP2.65
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.65
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'-[(Z)-(3-chlorophenyl)methylideneamino]-N-cyclopropyloxamide
CID 9352220
N'-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylpropyl)oxamide
CID 8930307
N'-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 8930313
N-cyclopropyl-N'-[(Z)-(3-phenoxyphenyl)methylideneamino]oxamide
CID 9352215
3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 5211161
1-[[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-3-methylthiourea
CID 4164336
N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 126013831
N-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 22685923
[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 900224
N'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 3715481
N'-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide
CID 8930207
2,4-dichloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6107942

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide?
The IUPAC name of N'-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide (CID 8930334) is N'-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide.
What is the SMILES notation for N'-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide?
The canonical SMILES for N'-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide is O=C(N/N=C\c1cccc(OCc2cccc(Cl)c2)c1)C(=O)NC1CC1.
What is the InChIKey of N'-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide?
The InChIKey is FHLKEBFUKGFVNG-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c20-15-5-1-4-14(9-15)12-26-17-6-2-3-13(10-17)11-21-23-19(25)18(24)22-16-7-8-16/h1-6,9-11,16H,7-8,12H2,(H,22,24)(H,23,25)/b21-11-.
What are the key properties of N'-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide?
N'-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide has a molecular weight of 371.82 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-cyclopropyloxamide is sourced from PubChem (CID 8930334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).