4-amino-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide

C17H17F2N3O3 — CID 9070784

IUPAC4-amino-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide
SMILESCCOc1cc(/C=N\NC(=O)c2ccc(N)cc2)ccc1OC(F)F
InChIInChI=1S/C17H17F2N3O3/c1-2-24-15-9-11(3-8-14(15)25-17(18)19)10-21-22-16(23)12-4-6-13(20)7-5-12/h3-10,17H,2,20H2,1H3,(H,22,23)/b21-10-
InChIKeyJWIYGUPUPBOWAA-FBHDLOMBSA-N
MW349.34 g/mol
LogP3.03
Rot. Bonds7

About 4-amino-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide

4-amino-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide (PubChem CID 9070784) has the molecular formula C17H17F2N3O3 and a molecular weight of 349.34 g/mol. Its IUPAC name is 4-amino-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide
PubChem CID9070784
Molecular FormulaC17H17F2N3O3
Molecular Weight349.34 g/mol
Exact Mass349.12
IUPAC Name4-amino-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide
SMILESCCOc1cc(/C=N\NC(=O)c2ccc(N)cc2)ccc1OC(F)F
InChIInChI=1S/C17H17F2N3O3/c1-2-24-15-9-11(3-8-14(15)25-17(18)19)10-21-22-16(23)12-4-6-13(20)7-5-12/h3-10,17H,2,20H2,1H3,(H,22,23)/b21-10-
InChIKeyJWIYGUPUPBOWAA-FBHDLOMBSA-N
XLogP3.03
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-amino-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 9071275
3-chloro-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide
CID 9174936
N-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 112537989
[[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]thiourea
CID 76872315
3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 137068274
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
4-ethoxy-N-[(E)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 17246424
4-amino-N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135852604
4-amino-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 6909799
N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-4-methylbenzamide
CID 9175187
3-amino-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]benzamide
CID 110512153
4-acetamido-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 5126030

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide (CID 9070784) is 4-amino-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide is CCOc1cc(/C=N\NC(=O)c2ccc(N)cc2)ccc1OC(F)F.
What is the InChIKey of 4-amino-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide?
The InChIKey is JWIYGUPUPBOWAA-FBHDLOMBSA-N. The full InChI is InChI=1S/C17H17F2N3O3/c1-2-24-15-9-11(3-8-14(15)25-17(18)19)10-21-22-16(23)12-4-6-13(20)7-5-12/h3-10,17H,2,20H2,1H3,(H,22,23)/b21-10-.
What are the key properties of 4-amino-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide?
4-amino-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide has a molecular weight of 349.34 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide is sourced from PubChem (CID 9070784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).