N-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide

C19H22FN3O3 — CID 9222928

IUPACN-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCOc1ccc(NC(=O)CN(C)CC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FN3O3/c1-23(12-18(24)21-11-14-3-5-15(20)6-4-14)13-19(25)22-16-7-9-17(26-2)10-8-16/h3-10H,11-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyPOQWRYRTIRCAJO-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.02
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide

N-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 9222928) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID9222928
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCOc1ccc(NC(=O)CN(C)CC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FN3O3/c1-23(12-18(24)21-11-14-3-5-15(20)6-4-14)13-19(25)22-16-7-9-17(26-2)10-8-16/h3-10H,11-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyPOQWRYRTIRCAJO-UHFFFAOYSA-N
XLogP2.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658290
N-[(4-chlorophenyl)methyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9253245
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfonyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 39083637
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222927
2-(N-[2-(4-fluoroanilino)-2-oxoethyl]-4-methoxyanilino)-N-(4-fluorophenyl)acetamide
CID 55483246
N-[[4-(dimethylamino)phenyl]methyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 18087872
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 27242216
2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]acetamide
CID 24718593
N-[[4-(methoxymethyl)phenyl]methyl]-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 87012824
N-(furan-2-ylmethyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222820
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9053961
2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2657324

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide (CID 9222928) is N-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide is COc1ccc(NC(=O)CN(C)CC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is POQWRYRTIRCAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-23(12-18(24)21-11-14-3-5-15(20)6-4-14)13-19(25)22-16-7-9-17(26-2)10-8-16/h3-10H,11-13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide?
N-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 359.40 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 9222928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).