2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide

C18H19ClFN3O3 — CID 2449020

IUPAC2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C18H19ClFN3O3/c1-23(10-17(24)21-13-4-6-14(26-2)7-5-13)11-18(25)22-16-8-3-12(19)9-15(16)20/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyCUXUEHAWUAODCD-UHFFFAOYSA-N
MW379.82 g/mol
LogP3.00
Rot. Bonds7

About 2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide

2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide (PubChem CID 2449020) has the molecular formula C18H19ClFN3O3 and a molecular weight of 379.82 g/mol. Its IUPAC name is 2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
PubChem CID2449020
Molecular FormulaC18H19ClFN3O3
Molecular Weight379.82 g/mol
Exact Mass379.11
IUPAC Name2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C18H19ClFN3O3/c1-23(10-17(24)21-13-4-6-14(26-2)7-5-13)11-18(25)22-16-8-3-12(19)9-15(16)20/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyCUXUEHAWUAODCD-UHFFFAOYSA-N
XLogP3.00
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide (CID 2449020) is 2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2F)cc1.
What is the InChIKey of 2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is CUXUEHAWUAODCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O3/c1-23(10-17(24)21-13-4-6-14(26-2)7-5-13)11-18(25)22-16-8-3-12(19)9-15(16)20/h3-9H,10-11H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide?
2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 379.82 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 2449020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).