2-(4-fluoro-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide

C17H19FN2O2 — CID 31525932

IUPAC2-(4-fluoro-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CNc2ccc(F)cc2C)c1
InChIInChI=1S/C17H19FN2O2/c1-12-8-14(18)6-7-16(12)19-11-17(21)20-10-13-4-3-5-15(9-13)22-2/h3-9,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyYXQFPCYKMMAFJH-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.87
Rot. Bonds6

About 2-(4-fluoro-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide

2-(4-fluoro-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 31525932) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID31525932
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name2-(4-fluoro-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CNc2ccc(F)cc2C)c1
InChIInChI=1S/C17H19FN2O2/c1-12-8-14(18)6-7-16(12)19-11-17(21)20-10-13-4-3-5-15(9-13)22-2/h3-9,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyYXQFPCYKMMAFJH-UHFFFAOYSA-N
XLogP2.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-4-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525565
N-[(3-methoxyphenyl)methyl]-2-(2-phenoxyanilino)acetamide
CID 31525744
2-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 31526257
N-(benzylcarbamoyl)-2-(4-fluoro-2-methylanilino)acetamide
CID 26439790
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
2-(2-chloro-4-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 26437643
2-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525110
3-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
CID 60536999
N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 60683260
N-ethyl-2-(4-methoxy-2-methylanilino)acetamide
CID 62871703
N-[(3-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914710

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-fluoro-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide (CID 31525932) is 2-(4-fluoro-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluoro-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-fluoro-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)CNc2ccc(F)cc2C)c1.
What is the InChIKey of 2-(4-fluoro-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is YXQFPCYKMMAFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-12-8-14(18)6-7-16(12)19-11-17(21)20-10-13-4-3-5-15(9-13)22-2/h3-9,19H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-fluoro-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide?
2-(4-fluoro-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 302.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 31525932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).