N-[3-fluoro-4-(methylamino)phenyl]-2-methoxybutanamide

C12H17FN2O2 — CID 167797572

IUPACN-[3-fluoro-4-(methylamino)phenyl]-2-methoxybutanamide
SMILESCCC(OC)C(=O)Nc1ccc(NC)c(F)c1
InChIInChI=1S/C12H17FN2O2/c1-4-11(17-3)12(16)15-8-5-6-10(14-2)9(13)7-8/h5-7,11,14H,4H2,1-3H3,(H,15,16)
InChIKeyBMTJSENRMKCSSO-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.23
Rot. Bonds5

About N-[3-fluoro-4-(methylamino)phenyl]-2-methoxybutanamide

N-[3-fluoro-4-(methylamino)phenyl]-2-methoxybutanamide (PubChem CID 167797572) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-[3-fluoro-4-(methylamino)phenyl]-2-methoxybutanamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(methylamino)phenyl]-2-methoxybutanamide
PubChem CID167797572
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-[3-fluoro-4-(methylamino)phenyl]-2-methoxybutanamide
SMILESCCC(OC)C(=O)Nc1ccc(NC)c(F)c1
InChIInChI=1S/C12H17FN2O2/c1-4-11(17-3)12(16)15-8-5-6-10(14-2)9(13)7-8/h5-7,11,14H,4H2,1-3H3,(H,15,16)
InChIKeyBMTJSENRMKCSSO-UHFFFAOYSA-N
XLogP2.23
TPSA50.36 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 ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[2-fluoro-4-[[(2S)-2-methylbutanoyl]amino]phenyl]carbamate
CID 97350483
2-hydroxy-5-(2-methoxybutanoylamino)benzoic acid
CID 136557400
3-amino-2-methoxy-N-(3,4,5-trifluorophenyl)propanamide
CID 114145085
N-(3,4-difluorophenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 53288917
(2R)-N-(3,4-difluorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92682069
N-(3,4-difluorophenyl)-2-(3-methylphenoxy)butanamide
CID 43905460
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide
CID 40742385
N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide
CID 44782476
(2R)-N-[5-(dimethylsulfamoyl)-2-fluorophenyl]-2-methoxybutanamide
CID 95774605
N-(2,4-difluorophenyl)-2-(4-methoxyphenoxy)butanamide
CID 53281950
2-cyclopentyl-N-[3-fluoro-4-(methylamino)phenyl]acetamide
CID 167956029
(2S)-N-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)butanamide
CID 9181885

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(methylamino)phenyl]-2-methoxybutanamide?
The IUPAC name of N-[3-fluoro-4-(methylamino)phenyl]-2-methoxybutanamide (CID 167797572) is N-[3-fluoro-4-(methylamino)phenyl]-2-methoxybutanamide.
What is the SMILES notation for N-[3-fluoro-4-(methylamino)phenyl]-2-methoxybutanamide?
The canonical SMILES for N-[3-fluoro-4-(methylamino)phenyl]-2-methoxybutanamide is CCC(OC)C(=O)Nc1ccc(NC)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-(methylamino)phenyl]-2-methoxybutanamide?
The InChIKey is BMTJSENRMKCSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-4-11(17-3)12(16)15-8-5-6-10(14-2)9(13)7-8/h5-7,11,14H,4H2,1-3H3,(H,15,16).
What are the key properties of N-[3-fluoro-4-(methylamino)phenyl]-2-methoxybutanamide?
N-[3-fluoro-4-(methylamino)phenyl]-2-methoxybutanamide has a molecular weight of 240.28 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(methylamino)phenyl]-2-methoxybutanamide is sourced from PubChem (CID 167797572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).