2-(2-chloro-6-fluorophenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide

C23H22ClFN2O3 — CID 55806772

IUPAC2-(2-chloro-6-fluorophenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide
SMILESCOc1cc(C(C)NC(=O)Cc2c(F)cccc2Cl)ccc1OCc1ccncc1
InChIInChI=1S/C23H22ClFN2O3/c1-15(27-23(28)13-18-19(24)4-3-5-20(18)25)17-6-7-21(22(12-17)29-2)30-14-16-8-10-26-11-9-16/h3-12,15H,13-14H2,1-2H3,(H,27,28)
InChIKeyFSPFQEWSYZDLIL-UHFFFAOYSA-N
MW428.89 g/mol
LogP4.88
Rot. Bonds8

About 2-(2-chloro-6-fluorophenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide (PubChem CID 55806772) has the molecular formula C23H22ClFN2O3 and a molecular weight of 428.89 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide
PubChem CID55806772
Molecular FormulaC23H22ClFN2O3
Molecular Weight428.89 g/mol
Exact Mass428.13
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide
SMILESCOc1cc(C(C)NC(=O)Cc2c(F)cccc2Cl)ccc1OCc1ccncc1
InChIInChI=1S/C23H22ClFN2O3/c1-15(27-23(28)13-18-19(24)4-3-5-20(18)25)17-6-7-21(22(12-17)29-2)30-14-16-8-10-26-11-9-16/h3-12,15H,13-14H2,1-2H3,(H,27,28)
InChIKeyFSPFQEWSYZDLIL-UHFFFAOYSA-N
XLogP4.88
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.89
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide
CID 55653646
2-(3-methoxyphenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide
CID 55806619
4-(4-chlorophenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]butanamide
CID 55807066
5-chloro-2-methoxy-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide
CID 55807881
2-(4-fluorophenyl)sulfanyl-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide
CID 55807913
N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119852198
2-(2-chloro-6-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 42998538
2-iodo-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide
CID 55808073
2-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 839132
(Z)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-methylpent-2-enamide
CID 51123778
N-[1-(3-aminophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 43297617
2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 86263927

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide (CID 55806772) is 2-(2-chloro-6-fluorophenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide is COc1cc(C(C)NC(=O)Cc2c(F)cccc2Cl)ccc1OCc1ccncc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide?
The InChIKey is FSPFQEWSYZDLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2O3/c1-15(27-23(28)13-18-19(24)4-3-5-20(18)25)17-6-7-21(22(12-17)29-2)30-14-16-8-10-26-11-9-16/h3-12,15H,13-14H2,1-2H3,(H,27,28).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide has a molecular weight of 428.89 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 55806772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).