3-amino-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide

C12H17FN2O2 — CID 113416369

IUPAC3-amino-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide
SMILESCOc1ccc(F)c(NC(=O)C(C)C(C)N)c1
InChIInChI=1S/C12H17FN2O2/c1-7(8(2)14)12(16)15-11-6-9(17-3)4-5-10(11)13/h4-8H,14H2,1-3H3,(H,15,16)
InChIKeyBRVGLRPSZPKVAY-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.76
Rot. Bonds4

About 3-amino-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide

3-amino-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide (PubChem CID 113416369) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-amino-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide
PubChem CID113416369
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name3-amino-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide
SMILESCOc1ccc(F)c(NC(=O)C(C)C(C)N)c1
InChIInChI=1S/C12H17FN2O2/c1-7(8(2)14)12(16)15-11-6-9(17-3)4-5-10(11)13/h4-8H,14H2,1-3H3,(H,15,16)
InChIKeyBRVGLRPSZPKVAY-UHFFFAOYSA-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

4-(2-fluoro-5-methoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498802
3-amino-N-(2-fluoro-5-methoxyphenyl)butanamide;hydrochloride
CID 119788930
2-amino-N-(2-fluoro-5-methoxyphenyl)-2-thiophen-2-ylacetamide
CID 115287518
2-(azetidin-3-yl)-N-(2-fluoro-5-methoxyphenyl)propanamide
CID 116678455
chloromethyl N-(2-fluoro-5-methoxyphenyl)carbamate
CID 164660390
2-[(3-amino-2-methylbutanoyl)amino]-N-cyclopropyl-5-methoxybenzamide
CID 120500588
(2R)-2-amino-N-(2-iodo-5-methoxyphenyl)propanamide
CID 119307887
3-[(2-fluoro-5-methoxyphenyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428951
2-amino-N-(2-iodo-5-methoxyphenyl)propanamide;hydrochloride
CID 119307884
(2-fluoro-5-methoxyphenyl)hydrazine
CID 34175304
1-N',2-N'-bis(2-fluoro-5-methoxyphenyl)ethanedihydrazide
CID 138619993
(2R)-2-amino-N-(2-formamido-5-methoxyphenyl)propanamide
CID 143527427

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide?
The IUPAC name of 3-amino-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide (CID 113416369) is 3-amino-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide?
The canonical SMILES for 3-amino-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide is COc1ccc(F)c(NC(=O)C(C)C(C)N)c1.
What is the InChIKey of 3-amino-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide?
The InChIKey is BRVGLRPSZPKVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-7(8(2)14)12(16)15-11-6-9(17-3)4-5-10(11)13/h4-8H,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide?
3-amino-N-(2-fluoro-5-methoxyphenyl)-2-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 3-amino-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide is sourced from PubChem (CID 113416369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).