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

C17H19FN2O2 — CID 31525565

IUPAC2-(3-fluoro-4-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CNc2ccc(C)c(F)c2)c1
InChIInChI=1S/C17H19FN2O2/c1-12-6-7-14(9-16(12)18)19-11-17(21)20-10-13-4-3-5-15(8-13)22-2/h3-9,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyUUCBPULETVVPSL-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.87
Rot. Bonds6

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

2-(3-fluoro-4-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 31525565) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID31525565
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name2-(3-fluoro-4-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CNc2ccc(C)c(F)c2)c1
InChIInChI=1S/C17H19FN2O2/c1-12-6-7-14(9-16(12)18)19-11-17(21)20-10-13-4-3-5-15(8-13)22-2/h3-9,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyUUCBPULETVVPSL-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-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525110
2-(4-fluoro-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525932
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 9088186
2-[4-(difluoromethylsulfanyl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide
CID 47013484
2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108997018
2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109001073
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
3-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
CID 60536999
N-[(3-methoxyphenyl)methyl]-3,4-dimethylaniline;oxalic acid
CID 17367859
N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 60683260
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733
N-[(3-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914710

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(3-fluoro-4-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide (CID 31525565) is 2-(3-fluoro-4-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-fluoro-4-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-fluoro-4-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)CNc2ccc(C)c(F)c2)c1.
What is the InChIKey of 2-(3-fluoro-4-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is UUCBPULETVVPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-12-6-7-14(9-16(12)18)19-11-17(21)20-10-13-4-3-5-15(8-13)22-2/h3-9,19H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 2-(3-fluoro-4-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide?
2-(3-fluoro-4-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-(3-fluoro-4-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 31525565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).