2-chloro-N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]benzamide

C17H14ClN3O2 — CID 9016411

IUPAC2-chloro-N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1Cl)c1ccc(OCC#N)cc1
InChIInChI=1S/C17H14ClN3O2/c1-12(13-6-8-14(9-7-13)23-11-10-19)20-21-17(22)15-4-2-3-5-16(15)18/h2-9H,11H2,1H3,(H,21,22)/b20-12-
InChIKeyMNUNTZBZNWIEOG-NDENLUEZSA-N
MW327.77 g/mol
LogP3.40
Rot. Bonds5

About 2-chloro-N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]benzamide

2-chloro-N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]benzamide (PubChem CID 9016411) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]benzamide
PubChem CID9016411
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name2-chloro-N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccccc1Cl)c1ccc(OCC#N)cc1
InChIInChI=1S/C17H14ClN3O2/c1-12(13-6-8-14(9-7-13)23-11-10-19)20-21-17(22)15-4-2-3-5-16(15)18/h2-9H,11H2,1H3,(H,21,22)/b20-12-
InChIKeyMNUNTZBZNWIEOG-NDENLUEZSA-N
XLogP3.40
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.40
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

2-chloro-N-[1-(4-cyanophenyl)ethylideneamino]benzamide
CID 5254182
N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-fluorobenzamide
CID 9016760
N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-methylbenzamide
CID 9175311
N-[(E)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 172923750
2-[(2-chlorophenyl)methoxy]-N-[1-(4-cyanophenyl)ethylideneamino]benzamide
CID 4035879
N-[1-(4-acetamidophenyl)ethylideneamino]-2-chlorobenzamide
CID 1225540
2-chloro-N-[4-[(E)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 23094897
2-amino-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 689617
2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate
CID 9016363
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid
CID 9016230
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]benzamide (CID 9016411) is 2-chloro-N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]benzamide is C/C(=N/NC(=O)c1ccccc1Cl)c1ccc(OCC#N)cc1.
What is the InChIKey of 2-chloro-N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]benzamide?
The InChIKey is MNUNTZBZNWIEOG-NDENLUEZSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-12(13-6-8-14(9-7-13)23-11-10-19)20-21-17(22)15-4-2-3-5-16(15)18/h2-9H,11H2,1H3,(H,21,22)/b20-12-.
What are the key properties of 2-chloro-N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]benzamide?
2-chloro-N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]benzamide has a molecular weight of 327.77 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]benzamide is sourced from PubChem (CID 9016411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).