4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbutanamide

C12H17FN2O2 — CID 80542482

IUPAC4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbutanamide
SMILESCOc1ccc(NC(=O)C(C)CCN)cc1F
InChIInChI=1S/C12H17FN2O2/c1-8(5-6-14)12(16)15-9-3-4-11(17-2)10(13)7-9/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyUYEVHBHPJZPFFD-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.76
Rot. Bonds5

About 4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbutanamide

4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbutanamide (PubChem CID 80542482) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbutanamide
PubChem CID80542482
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbutanamide
SMILESCOc1ccc(NC(=O)C(C)CCN)cc1F
InChIInChI=1S/C12H17FN2O2/c1-8(5-6-14)12(16)15-9-3-4-11(17-2)10(13)7-9/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyUYEVHBHPJZPFFD-UHFFFAOYSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-4-methoxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 79196660
4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide
CID 80542126
4-(3-fluoro-4-methoxyanilino)-3-methyl-4-oxobutanoic acid
CID 115164433
3-(ethylamino)-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide
CID 55122876
4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide
CID 80543505
5-[(4-amino-2-methylbutanoyl)amino]-2-fluorobenzoic acid
CID 80542603
N-(3-amino-4-methoxyphenyl)-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 119419271
N-(4-acetamidophenyl)-4-amino-2-methylbutanamide
CID 80542104
N-(3-fluoro-4-methoxyphenyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76925497
3-(3-fluoro-4-methoxyphenyl)-1-methyl-1-[(2R)-pentan-2-yl]urea
CID 94187469
N-(3-amino-4-methoxyphenyl)-2-methylbutanamide
CID 43599878
3-(3-fluoro-4-methoxyanilino)-2-methylpropanoic acid
CID 43538671

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbutanamide?
The IUPAC name of 4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbutanamide (CID 80542482) is 4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbutanamide?
The canonical SMILES for 4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbutanamide is COc1ccc(NC(=O)C(C)CCN)cc1F.
What is the InChIKey of 4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbutanamide?
The InChIKey is UYEVHBHPJZPFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(5-6-14)12(16)15-9-3-4-11(17-2)10(13)7-9/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbutanamide?
4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbutanamide has a molecular weight of 240.28 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbutanamide is sourced from PubChem (CID 80542482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).