3-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]benzamide

C19H19ClFN3O2 — CID 9174902

IUPAC3-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cccc(Cl)c1)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C19H19ClFN3O2/c1-13(22-23-19(25)15-3-2-4-16(20)11-15)14-5-6-18(17(21)12-14)24-7-9-26-10-8-24/h2-6,11-12H,7-10H2,1H3,(H,23,25)/b22-13-
InChIKeyIYLYYTUKVGOCFO-XKZIYDEJSA-N
MW375.83 g/mol
LogP3.47
Rot. Bonds4

About 3-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]benzamide

3-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]benzamide (PubChem CID 9174902) has the molecular formula C19H19ClFN3O2 and a molecular weight of 375.83 g/mol. Its IUPAC name is 3-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]benzamide
PubChem CID9174902
Molecular FormulaC19H19ClFN3O2
Molecular Weight375.83 g/mol
Exact Mass375.11
IUPAC Name3-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cccc(Cl)c1)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C19H19ClFN3O2/c1-13(22-23-19(25)15-3-2-4-16(20)11-15)14-5-6-18(17(21)12-14)24-7-9-26-10-8-24/h2-6,11-12H,7-10H2,1H3,(H,23,25)/b22-13-
InChIKeyIYLYYTUKVGOCFO-XKZIYDEJSA-N
XLogP3.47
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 53.47
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

N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide
CID 9026928
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755
2,5-dichloro-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide
CID 6249278
3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide
CID 19685334
3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 6010239
4-[[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]-N-[(E)-1-(3-morpholin-4-ylphenyl)ethylideneamino]benzamide
CID 42936252
N-(5-chloro-2-morpholin-4-ylphenyl)-3-fluorobenzamide
CID 952445
N-[(Z)-1-(3-chlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 5480352
2,4-dichloro-N-[4-[(Z)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6266458
3-chloro-N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide
CID 126021065
2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid
CID 119350129
1-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 9257630

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]benzamide (CID 9174902) is 3-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]benzamide is C/C(=N/NC(=O)c1cccc(Cl)c1)c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 3-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]benzamide?
The InChIKey is IYLYYTUKVGOCFO-XKZIYDEJSA-N. The full InChI is InChI=1S/C19H19ClFN3O2/c1-13(22-23-19(25)15-3-2-4-16(20)11-15)14-5-6-18(17(21)12-14)24-7-9-26-10-8-24/h2-6,11-12H,7-10H2,1H3,(H,23,25)/b22-13-.
What are the key properties of 3-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]benzamide?
3-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]benzamide has a molecular weight of 375.83 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 9174902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).