N-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-4-propan-2-yloxybenzamide

C18H18F2N2O2 — CID 9215314

IUPACN-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-4-propan-2-yloxybenzamide
SMILESC/C(=N/NC(=O)c1ccc(OC(C)C)cc1)c1ccc(F)cc1F
InChIInChI=1S/C18H18F2N2O2/c1-11(2)24-15-7-4-13(5-8-15)18(23)22-21-12(3)16-9-6-14(19)10-17(16)20/h4-11H,1-3H3,(H,22,23)/b21-12-
InChIKeyQFBAEVZLRNIOPU-MTJSOVHGSA-N
MW332.35 g/mol
LogP3.91
Rot. Bonds5

About N-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-4-propan-2-yloxybenzamide

N-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-4-propan-2-yloxybenzamide (PubChem CID 9215314) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is N-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-4-propan-2-yloxybenzamide
PubChem CID9215314
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC NameN-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-4-propan-2-yloxybenzamide
SMILESC/C(=N/NC(=O)c1ccc(OC(C)C)cc1)c1ccc(F)cc1F
InChIInChI=1S/C18H18F2N2O2/c1-11(2)24-15-7-4-13(5-8-15)18(23)22-21-12(3)16-9-6-14(19)10-17(16)20/h4-11H,1-3H3,(H,22,23)/b21-12-
InChIKeyQFBAEVZLRNIOPU-MTJSOVHGSA-N
XLogP3.91
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-phenylethylideneamino]-4-propan-2-yloxybenzamide
CID 9215513
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide
CID 9215396
N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
CID 40606275
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 78596498
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-propan-2-yloxybenzamide
CID 9215676
(2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 63661997
4-propan-2-yloxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 9215537
3,4,5-trimethoxy-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]benzamide
CID 9231843
N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-4-fluorobenzamide
CID 9016562
2-[3-[(Z)-C-methyl-N-[(4-propan-2-yloxybenzoyl)amino]carbonimidoyl]phenoxy]acetic acid
CID 9215286
1-(2,4-difluorophenyl)-2-(4-fluorophenoxy)propan-1-one
CID 43232352
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215678

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-4-propan-2-yloxybenzamide (CID 9215314) is N-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-4-propan-2-yloxybenzamide is C/C(=N/NC(=O)c1ccc(OC(C)C)cc1)c1ccc(F)cc1F.
What is the InChIKey of N-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-4-propan-2-yloxybenzamide?
The InChIKey is QFBAEVZLRNIOPU-MTJSOVHGSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-11(2)24-15-7-4-13(5-8-15)18(23)22-21-12(3)16-9-6-14(19)10-17(16)20/h4-11H,1-3H3,(H,22,23)/b21-12-.
What are the key properties of N-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-4-propan-2-yloxybenzamide?
N-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-4-propan-2-yloxybenzamide has a molecular weight of 332.35 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 9215314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).