2-(3-fluoro-5-formyl-N-propylanilino)-N,N-dimethylacetamide

C14H19FN2O2 — CID 106529174

IUPAC2-(3-fluoro-5-formyl-N-propylanilino)-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1cc(F)cc(C=O)c1
InChIInChI=1S/C14H19FN2O2/c1-4-5-17(9-14(19)16(2)3)13-7-11(10-18)6-12(15)8-13/h6-8,10H,4-5,9H2,1-3H3
InChIKeyGNYILSQCLMNELZ-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.94
Rot. Bonds6

About 2-(3-fluoro-5-formyl-N-propylanilino)-N,N-dimethylacetamide

2-(3-fluoro-5-formyl-N-propylanilino)-N,N-dimethylacetamide (PubChem CID 106529174) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(3-fluoro-5-formyl-N-propylanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-fluoro-5-formyl-N-propylanilino)-N,N-dimethylacetamide
PubChem CID106529174
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-(3-fluoro-5-formyl-N-propylanilino)-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1cc(F)cc(C=O)c1
InChIInChI=1S/C14H19FN2O2/c1-4-5-17(9-14(19)16(2)3)13-7-11(10-18)6-12(15)8-13/h6-8,10H,4-5,9H2,1-3H3
InChIKeyGNYILSQCLMNELZ-UHFFFAOYSA-N
XLogP1.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[3-(diethylamino)propyl-ethylamino]-5-fluorobenzaldehyde
CID 106529426
3-[ethyl(prop-2-enyl)amino]-5-fluorobenzaldehyde
CID 106529352
3-[ethyl(prop-2-ynyl)amino]-5-fluorobenzaldehyde
CID 106529349
2-[4-(ethylaminomethyl)-3-methyl-N-propylanilino]-N,N-dimethylacetamide
CID 62129619
3-fluoro-5-[methyl(4-methylpentan-2-yl)amino]benzaldehyde
CID 106529192
2-[(5-amino-3-pyridinyl)-propylamino]-N,N-dimethylacetamide
CID 104533692
3-fluoro-5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzaldehyde
CID 106529148
3-fluoro-5-[methyl(3-methylbutyl)amino]benzaldehyde
CID 106529138
3-fluoro-5-[methyl(2-methylsulfanylethyl)amino]benzaldehyde
CID 106529372
2-(3-bromo-4-cyano-N-propylanilino)-N,N-dimethylacetamide
CID 107276141
3-fluoro-5-[methyl(prop-2-enyl)amino]benzaldehyde
CID 106529351
3-[2,2-dimethylpropyl(methyl)amino]-5-fluorobenzaldehyde
CID 106529213

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-formyl-N-propylanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-fluoro-5-formyl-N-propylanilino)-N,N-dimethylacetamide (CID 106529174) is 2-(3-fluoro-5-formyl-N-propylanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-fluoro-5-formyl-N-propylanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-fluoro-5-formyl-N-propylanilino)-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)c1cc(F)cc(C=O)c1.
What is the InChIKey of 2-(3-fluoro-5-formyl-N-propylanilino)-N,N-dimethylacetamide?
The InChIKey is GNYILSQCLMNELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-4-5-17(9-14(19)16(2)3)13-7-11(10-18)6-12(15)8-13/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of 2-(3-fluoro-5-formyl-N-propylanilino)-N,N-dimethylacetamide?
2-(3-fluoro-5-formyl-N-propylanilino)-N,N-dimethylacetamide has a molecular weight of 266.32 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-formyl-N-propylanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 106529174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).