2-(3-fluoro-4-methylanilino)-N-(2-methylbutan-2-yl)acetamide

C14H21FN2O — CID 60672268

IUPAC2-(3-fluoro-4-methylanilino)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNc1ccc(C)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-5-14(3,4)17-13(18)9-16-11-7-6-10(2)12(15)8-11/h6-8,16H,5,9H2,1-4H3,(H,17,18)
InChIKeyRQQZVFDTBNTIKK-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.85
Rot. Bonds5

About 2-(3-fluoro-4-methylanilino)-N-(2-methylbutan-2-yl)acetamide

2-(3-fluoro-4-methylanilino)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 60672268) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylanilino)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methylanilino)-N-(2-methylbutan-2-yl)acetamide
PubChem CID60672268
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-(3-fluoro-4-methylanilino)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNc1ccc(C)c(F)c1
InChIInChI=1S/C14H21FN2O/c1-5-14(3,4)17-13(18)9-16-11-7-6-10(2)12(15)8-11/h6-8,16H,5,9H2,1-4H3,(H,17,18)
InChIKeyRQQZVFDTBNTIKK-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylbutan-2-yl)acetamide
CID 115378141
2-(4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide
CID 60671142
N-cyclopentyl-2-(3-fluoro-4-methylanilino)acetamide
CID 28583319
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79801719
2-(3-acetylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9099428
3-(3-fluoro-4-methylanilino)-N-methylpropanamide
CID 62325316
N-(2-methylbutan-2-yl)-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide
CID 32974148
N-[4-(diethylsulfamoyl)phenyl]-2-(3-fluoro-4-methylanilino)acetamide
CID 9100034
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-(2-methylbutan-2-yl)acetamide
CID 60674268
2-(ethylamino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 60641239
2-amino-N-(3-fluoro-4-methylphenyl)-2-methylbutanamide
CID 79797233
N-(2,3-dichlorophenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 9100051

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylanilino)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(3-fluoro-4-methylanilino)-N-(2-methylbutan-2-yl)acetamide (CID 60672268) is 2-(3-fluoro-4-methylanilino)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(3-fluoro-4-methylanilino)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(3-fluoro-4-methylanilino)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CNc1ccc(C)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-methylanilino)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is RQQZVFDTBNTIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-5-14(3,4)17-13(18)9-16-11-7-6-10(2)12(15)8-11/h6-8,16H,5,9H2,1-4H3,(H,17,18).
What are the key properties of 2-(3-fluoro-4-methylanilino)-N-(2-methylbutan-2-yl)acetamide?
2-(3-fluoro-4-methylanilino)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 252.33 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylanilino)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 60672268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).