1-(3-fluoro-4-methoxy-N-methylanilino)propan-2-one

C11H14FNO2 — CID 115234535

IUPAC1-(3-fluoro-4-methoxy-N-methylanilino)propan-2-one
SMILESCOc1ccc(N(C)CC(C)=O)cc1F
InChIInChI=1S/C11H14FNO2/c1-8(14)7-13(2)9-4-5-11(15-3)10(12)6-9/h4-6H,7H2,1-3H3
InChIKeyVGGSFPXQODJZKQ-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.86
Rot. Bonds4

About 1-(3-fluoro-4-methoxy-N-methylanilino)propan-2-one

1-(3-fluoro-4-methoxy-N-methylanilino)propan-2-one (PubChem CID 115234535) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxy-N-methylanilino)propan-2-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxy-N-methylanilino)propan-2-one
PubChem CID115234535
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name1-(3-fluoro-4-methoxy-N-methylanilino)propan-2-one
SMILESCOc1ccc(N(C)CC(C)=O)cc1F
InChIInChI=1S/C11H14FNO2/c1-8(14)7-13(2)9-4-5-11(15-3)10(12)6-9/h4-6H,7H2,1-3H3
InChIKeyVGGSFPXQODJZKQ-UHFFFAOYSA-N
XLogP1.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(3-fluoro-4-methoxy-N-methylanilino)-3-hydroxybutanoic acid
CID 115122927
1-(3-fluoro-4-methoxyphenyl)-1,3-dimethylurea
CID 115168962
N-(5-chloro-2-methoxyphenyl)-2-(3,4-difluoro-N-methylanilino)acetamide
CID 60573040
3-(3-fluoro-4-methoxy-N-methylanilino)propanenitrile
CID 115230729
N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178621
4-(dimethylamino)-4-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116910493
3-amino-N-(3-fluoro-4-methoxyphenyl)-N,3-dimethylbutanamide
CID 115154887
N-(3-fluoro-4-methoxyphenyl)-N-methylpiperidine-4-carboxamide
CID 115159991
2-(3,5-dimethylphenyl)-N-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
CID 139020691
2-(4-methoxy-N-methyl-3-propan-2-ylanilino)acetamide
CID 115259761
N'-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylbutane-1,4-diamine
CID 115201775
4-amino-N-(3-fluoro-4-methoxyphenyl)-N,3,3-trimethylbutanamide
CID 115157259

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxy-N-methylanilino)propan-2-one?
The IUPAC name of 1-(3-fluoro-4-methoxy-N-methylanilino)propan-2-one (CID 115234535) is 1-(3-fluoro-4-methoxy-N-methylanilino)propan-2-one.
What is the SMILES notation for 1-(3-fluoro-4-methoxy-N-methylanilino)propan-2-one?
The canonical SMILES for 1-(3-fluoro-4-methoxy-N-methylanilino)propan-2-one is COc1ccc(N(C)CC(C)=O)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxy-N-methylanilino)propan-2-one?
The InChIKey is VGGSFPXQODJZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-8(14)7-13(2)9-4-5-11(15-3)10(12)6-9/h4-6H,7H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methoxy-N-methylanilino)propan-2-one?
1-(3-fluoro-4-methoxy-N-methylanilino)propan-2-one has a molecular weight of 211.24 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxy-N-methylanilino)propan-2-one is sourced from PubChem (CID 115234535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).