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

C17H15ClF2N2O3 — CID 9174936

IUPAC3-chloro-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide
SMILESCCOc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1OC(F)F
InChIInChI=1S/C17H15ClF2N2O3/c1-2-24-15-8-11(6-7-14(15)25-17(19)20)10-21-22-16(23)12-4-3-5-13(18)9-12/h3-10,17H,2H2,1H3,(H,22,23)/b21-10-
InChIKeySAPJGZQSIQPYGZ-FBHDLOMBSA-N
MW368.77 g/mol
LogP4.10
Rot. Bonds7

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

3-chloro-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide (PubChem CID 9174936) has the molecular formula C17H15ClF2N2O3 and a molecular weight of 368.77 g/mol. Its IUPAC name is 3-chloro-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide
PubChem CID9174936
Molecular FormulaC17H15ClF2N2O3
Molecular Weight368.77 g/mol
Exact Mass368.07
IUPAC Name3-chloro-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide
SMILESCCOc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1OC(F)F
InChIInChI=1S/C17H15ClF2N2O3/c1-2-24-15-8-11(6-7-14(15)25-17(19)20)10-21-22-16(23)12-4-3-5-13(18)9-12/h3-10,17H,2H2,1H3,(H,22,23)/b21-10-
InChIKeySAPJGZQSIQPYGZ-FBHDLOMBSA-N
XLogP4.10
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.77
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide
CID 9070784
[4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
CID 6109352
N-[(E)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126322826
ethyl 2-[5-[(E)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 126208707
4-chloro-N-[(E)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 110340066
3-chloro-N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 94847745
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-3-fluorobenzamide
CID 126110168
1-(3-chlorophenyl)-3-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]urea
CID 110534056
[[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]thiourea
CID 76872315
3-amino-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]benzamide
CID 110512153
N-[(E)-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-prop-2-enoxybenzamide
CID 126319121
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 96867311

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide (CID 9174936) is 3-chloro-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide is CCOc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1OC(F)F.
What is the InChIKey of 3-chloro-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide?
The InChIKey is SAPJGZQSIQPYGZ-FBHDLOMBSA-N. The full InChI is InChI=1S/C17H15ClF2N2O3/c1-2-24-15-8-11(6-7-14(15)25-17(19)20)10-21-22-16(23)12-4-3-5-13(18)9-12/h3-10,17H,2H2,1H3,(H,22,23)/b21-10-.
What are the key properties of 3-chloro-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide?
3-chloro-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide has a molecular weight of 368.77 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide is sourced from PubChem (CID 9174936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).