5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide

C16H14ClFN2O2 — CID 4550766

IUPAC5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NN=C(C)c1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O2/c1-10(11-3-6-13(18)7-4-11)19-20-16(21)14-9-12(17)5-8-15(14)22-2/h3-9H,1-2H3,(H,20,21)
InChIKeyMNAKOBYZXFSUNJ-UHFFFAOYSA-N
MW320.75 g/mol
LogP3.64
Rot. Bonds4

About 5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide

5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide (PubChem CID 4550766) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is 5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide
PubChem CID4550766
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC Name5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NN=C(C)c1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O2/c1-10(11-3-6-13(18)7-4-11)19-20-16(21)14-9-12(17)5-8-15(14)22-2/h3-9H,1-2H3,(H,20,21)
InChIKeyMNAKOBYZXFSUNJ-UHFFFAOYSA-N
XLogP3.64
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 53.64
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-[1-(4-bromophenyl)ethylideneamino]-5-chloro-2-methoxybenzamide
CID 3698844
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide
CID 3386192
5-chloro-2-methoxy-N-(propan-2-ylideneamino)benzamide
CID 3614530
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3543843
N-[(E)-1-(2,5-dichlorophenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 55353185
5-chloro-N-[(E)-(4-fluorophenyl)methylideneamino]-2-methoxybenzamide
CID 6894279
2-[5-[(Z)-N-[(5-chloro-2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenyl]acetic acid
CID 9297810
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 8826111
2,4-dichloro-N-[4-[N-[(2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 4288814
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-methylbenzamide
CID 8862909
5-bromo-2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 5498486
N-[(Z)-1-(2-chloro-4-fluorophenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 8826178

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide (CID 4550766) is 5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NN=C(C)c1ccc(F)cc1.
What is the InChIKey of 5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide?
The InChIKey is MNAKOBYZXFSUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c1-10(11-3-6-13(18)7-4-11)19-20-16(21)14-9-12(17)5-8-15(14)22-2/h3-9H,1-2H3,(H,20,21).
What are the key properties of 5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide?
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide has a molecular weight of 320.75 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide is sourced from PubChem (CID 4550766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).