N-[(E)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide

C24H18ClFN4O3 — CID 6884079

IUPACN-[(E)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide
SMILESCOc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1Oc1nc(Cl)ncc1F
InChIInChI=1S/C24H18ClFN4O3/c1-32-20-10-9-15(11-21(20)33-23-19(26)14-27-24(25)29-23)13-28-30-22(31)12-17-7-4-6-16-5-2-3-8-18(16)17/h2-11,13-14H,12H2,1H3,(H,30,31)/b28-13+
InChIKeyYVTLEPZAGIJILK-XODNFHPESA-N
MW464.88 g/mol
LogP4.92
Rot. Bonds7

About N-[(E)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide

N-[(E)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide (PubChem CID 6884079) has the molecular formula C24H18ClFN4O3 and a molecular weight of 464.88 g/mol. Its IUPAC name is N-[(E)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(E)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide
PubChem CID6884079
Molecular FormulaC24H18ClFN4O3
Molecular Weight464.88 g/mol
Exact Mass464.11
IUPAC NameN-[(E)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide
SMILESCOc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1Oc1nc(Cl)ncc1F
InChIInChI=1S/C24H18ClFN4O3/c1-32-20-10-9-15(11-21(20)33-23-19(26)14-27-24(25)29-23)13-28-30-22(31)12-17-7-4-6-16-5-2-3-8-18(16)17/h2-11,13-14H,12H2,1H3,(H,30,31)/b28-13+
InChIKeyYVTLEPZAGIJILK-XODNFHPESA-N
XLogP4.92
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.88
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylideneamino]pyridine-3-carboxamide
CID 3295134
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 3627606
[2-methoxy-4-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] benzoate
CID 3326632
2-(4-fluorophenyl)-N-[(E)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 96885263
N-[(Z)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 6281145
[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-ethoxyphenyl]methylideneamino]thiourea
CID 91970110
[2-methoxy-4-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 3948345
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 1368568
3,4-dimethoxy-N-[2-[2-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3893797
methyl 4-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]benzoate
CID 5393689
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 126262498
N-[(Z)-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 126023867

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(E)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide (CID 6884079) is N-[(E)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(E)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(E)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide is COc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1Oc1nc(Cl)ncc1F.
What is the InChIKey of N-[(E)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide?
The InChIKey is YVTLEPZAGIJILK-XODNFHPESA-N. The full InChI is InChI=1S/C24H18ClFN4O3/c1-32-20-10-9-15(11-21(20)33-23-19(26)14-27-24(25)29-23)13-28-30-22(31)12-17-7-4-6-16-5-2-3-8-18(16)17/h2-11,13-14H,12H2,1H3,(H,30,31)/b28-13+.
What are the key properties of N-[(E)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide?
N-[(E)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide has a molecular weight of 464.88 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 6884079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).