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

C12H17FN2O2 — CID 79013529

IUPAC(2R)-2-amino-N-(4-fluoro-2-methoxyphenyl)-3-methylbutanamide
SMILESCOc1cc(F)ccc1NC(=O)[C@H](N)C(C)C
InChIInChI=1S/C12H17FN2O2/c1-7(2)11(14)12(16)15-9-5-4-8(13)6-10(9)17-3/h4-7,11H,14H2,1-3H3,(H,15,16)/t11-/m1/s1
InChIKeyQJVZXISNKGHCMS-LLVKDONJSA-N
MW240.28 g/mol
LogP1.76
Rot. Bonds4

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

(2R)-2-amino-N-(4-fluoro-2-methoxyphenyl)-3-methylbutanamide (PubChem CID 79013529) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is (2R)-2-amino-N-(4-fluoro-2-methoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(4-fluoro-2-methoxyphenyl)-3-methylbutanamide
PubChem CID79013529
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name(2R)-2-amino-N-(4-fluoro-2-methoxyphenyl)-3-methylbutanamide
SMILESCOc1cc(F)ccc1NC(=O)[C@H](N)C(C)C
InChIInChI=1S/C12H17FN2O2/c1-7(2)11(14)12(16)15-9-5-4-8(13)6-10(9)17-3/h4-7,11H,14H2,1-3H3,(H,15,16)/t11-/m1/s1
InChIKeyQJVZXISNKGHCMS-LLVKDONJSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

3-(4-fluoro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 114898275
(2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-methylbutanamide
CID 29080421
(2S)-2-amino-N-(2-methoxy-4-nitrophenyl)-3-methylbutanamide
CID 61179494
(2S)-2-amino-N-(4-fluoro-2-methoxyphenyl)-4-methylsulfanylbutanamide
CID 54967553
2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-fluorobenzoic acid
CID 61158303
2-[(2-amino-3-methylbutanoyl)amino]-4-fluorobenzoic acid
CID 61158299
(2S)-2-amino-N-(4-fluoro-2-nitrophenyl)-3-methylbutanamide
CID 61179807
2-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4,4-dimethylpentanamide
CID 107471938
1-(4-fluoro-2-methoxyphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111473635
2-(4-fluoro-2-methoxyanilino)propanamide
CID 47165201
benzyl (3S)-3-amino-4-(4-fluoro-2-methoxyanilino)-4-oxobutanoate
CID 114274759
N-(4-fluoro-2-methoxyphenyl)-3-methyl-2-phenylpentanamide
CID 55593206

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(4-fluoro-2-methoxyphenyl)-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-(4-fluoro-2-methoxyphenyl)-3-methylbutanamide (CID 79013529) is (2R)-2-amino-N-(4-fluoro-2-methoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(4-fluoro-2-methoxyphenyl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(4-fluoro-2-methoxyphenyl)-3-methylbutanamide is COc1cc(F)ccc1NC(=O)[C@H](N)C(C)C.
What is the InChIKey of (2R)-2-amino-N-(4-fluoro-2-methoxyphenyl)-3-methylbutanamide?
The InChIKey is QJVZXISNKGHCMS-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-7(2)11(14)12(16)15-9-5-4-8(13)6-10(9)17-3/h4-7,11H,14H2,1-3H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-(4-fluoro-2-methoxyphenyl)-3-methylbutanamide?
(2R)-2-amino-N-(4-fluoro-2-methoxyphenyl)-3-methylbutanamide has a molecular weight of 240.28 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(4-fluoro-2-methoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 79013529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).