3-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylbenzamide

C15H21FN2O3 — CID 51307897

IUPAC3-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylbenzamide
SMILESCOCCCNC(=O)CN(C)C(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C15H21FN2O3/c1-11-5-6-12(9-13(11)16)15(20)18(2)10-14(19)17-7-4-8-21-3/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,19)
InChIKeyYJQHXVQRIIJQFK-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.36
Rot. Bonds7

About 3-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylbenzamide

3-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylbenzamide (PubChem CID 51307897) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 3-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylbenzamide
PubChem CID51307897
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name3-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylbenzamide
SMILESCOCCCNC(=O)CN(C)C(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C15H21FN2O3/c1-11-5-6-12(9-13(11)16)15(20)18(2)10-14(19)17-7-4-8-21-3/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,19)
InChIKeyYJQHXVQRIIJQFK-UHFFFAOYSA-N
XLogP1.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51098419
3-bromo-4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 103841802
4-(aminomethyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 60953453
ethyl 2-[(3-fluoro-4-methylbenzoyl)-methylamino]acetate
CID 55003691
2-chloro-6-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51307804
4-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 51095013
methyl 4-[(3-fluoro-4-methylbenzoyl)-methylamino]butanoate
CID 54943134
3-fluoro-N-[2-(3-methoxypropanoylamino)ethyl]-4-methylbenzamide
CID 51108496
methyl 3-[(3-fluoro-4-methylbenzoyl)-methylamino]propanoate
CID 54979810
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide
CID 51095007
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 9076484
2,3-difluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 105380806

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylbenzamide?
The IUPAC name of 3-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylbenzamide (CID 51307897) is 3-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylbenzamide?
The canonical SMILES for 3-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylbenzamide is COCCCNC(=O)CN(C)C(=O)c1ccc(C)c(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylbenzamide?
The InChIKey is YJQHXVQRIIJQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-11-5-6-12(9-13(11)16)15(20)18(2)10-14(19)17-7-4-8-21-3/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,19).
What are the key properties of 3-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylbenzamide?
3-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylbenzamide has a molecular weight of 296.34 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 51307897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).