N-(3-fluoro-4-methoxyphenyl)-2-methyl-3-(methylamino)propanamide

C12H17FN2O2 — CID 79196660

IUPACN-(3-fluoro-4-methoxyphenyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1ccc(OC)c(F)c1
InChIInChI=1S/C12H17FN2O2/c1-8(7-14-2)12(16)15-9-4-5-11(17-3)10(13)6-9/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeyUWRSTKWOCPKVTD-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.63
Rot. Bonds5

About N-(3-fluoro-4-methoxyphenyl)-2-methyl-3-(methylamino)propanamide

N-(3-fluoro-4-methoxyphenyl)-2-methyl-3-(methylamino)propanamide (PubChem CID 79196660) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-2-methyl-3-(methylamino)propanamide
PubChem CID79196660
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1ccc(OC)c(F)c1
InChIInChI=1S/C12H17FN2O2/c1-8(7-14-2)12(16)15-9-4-5-11(17-3)10(13)6-9/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeyUWRSTKWOCPKVTD-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide
CID 55122876
4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbutanamide
CID 80542482
4-(3-fluoro-4-methoxyanilino)-3-methyl-4-oxobutanoic acid
CID 115164433
3-(3-fluoro-4-methoxyanilino)-2-methylpropanoic acid
CID 43538671
N-(3-bromo-4-fluorophenyl)-2-methyl-3-(methylamino)propanamide
CID 115738288
3-fluoro-N-[2-methoxy-5-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]benzamide
CID 119709950
3-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide
CID 114839717
1-(3-fluoro-4-methoxyphenyl)-3-methyl-4-(methylamino)butan-2-one
CID 116586735
N-(3-fluoro-4-methoxyphenyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76925497
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119715596
N-(3,4-dimethoxyphenyl)-3-(ethylamino)-2-methylpropanamide
CID 55123166
1-(3-fluoro-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826719

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2-methyl-3-(methylamino)propanamide (CID 79196660) is N-(3-fluoro-4-methoxyphenyl)-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)Nc1ccc(OC)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-2-methyl-3-(methylamino)propanamide?
The InChIKey is UWRSTKWOCPKVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(7-14-2)12(16)15-9-4-5-11(17-3)10(13)6-9/h4-6,8,14H,7H2,1-3H3,(H,15,16).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-2-methyl-3-(methylamino)propanamide?
N-(3-fluoro-4-methoxyphenyl)-2-methyl-3-(methylamino)propanamide has a molecular weight of 240.28 g/mol, XLogP of 1.63, 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-methoxyphenyl)-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 79196660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).