5-amino-N-[3-(dimethylamino)propyl]-2,4-difluoro-N-methylbenzamide

C13H19F2N3O — CID 63693725

IUPAC5-amino-N-[3-(dimethylamino)propyl]-2,4-difluoro-N-methylbenzamide
SMILESCN(C)CCCN(C)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C13H19F2N3O/c1-17(2)5-4-6-18(3)13(19)9-7-12(16)11(15)8-10(9)14/h7-8H,4-6,16H2,1-3H3
InChIKeyZRWGYFCZBINCOL-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.57
Rot. Bonds5

About 5-amino-N-[3-(dimethylamino)propyl]-2,4-difluoro-N-methylbenzamide

5-amino-N-[3-(dimethylamino)propyl]-2,4-difluoro-N-methylbenzamide (PubChem CID 63693725) has the molecular formula C13H19F2N3O and a molecular weight of 271.31 g/mol. Its IUPAC name is 5-amino-N-[3-(dimethylamino)propyl]-2,4-difluoro-N-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[3-(dimethylamino)propyl]-2,4-difluoro-N-methylbenzamide
PubChem CID63693725
Molecular FormulaC13H19F2N3O
Molecular Weight271.31 g/mol
Exact Mass271.15
IUPAC Name5-amino-N-[3-(dimethylamino)propyl]-2,4-difluoro-N-methylbenzamide
SMILESCN(C)CCCN(C)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C13H19F2N3O/c1-17(2)5-4-6-18(3)13(19)9-7-12(16)11(15)8-10(9)14/h7-8H,4-6,16H2,1-3H3
InChIKeyZRWGYFCZBINCOL-UHFFFAOYSA-N
XLogP1.57
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-butyl-2,4-difluoro-N-methylbenzamide
CID 61091185
5-amino-2,4-difluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107197364
5-amino-2,4-difluoro-N-methyl-N-propylbenzamide
CID 61095171
5-amino-2,4-difluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63207024
5-bromo-N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzamide
CID 63693697
5-amino-N,N-dibutyl-2,4-difluorobenzamide
CID 61095334
2-amino-N-[3-(dimethylamino)propyl]-4,5-dimethoxy-N-methylbenzamide
CID 63695458
N-(5-aminopentyl)-2,4-difluoro-N,5-dimethylbenzamide
CID 107206627
N-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide
CID 63694509
methyl 4-[(5-amino-2-bromo-4-fluorobenzoyl)-methylamino]butanoate
CID 62816474
5-amino-2,4-difluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 61108974
5-amino-2,4-difluoro-N,N-bis(2-methoxyethyl)benzamide
CID 61095461

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(dimethylamino)propyl]-2,4-difluoro-N-methylbenzamide?
The IUPAC name of 5-amino-N-[3-(dimethylamino)propyl]-2,4-difluoro-N-methylbenzamide (CID 63693725) is 5-amino-N-[3-(dimethylamino)propyl]-2,4-difluoro-N-methylbenzamide.
What is the SMILES notation for 5-amino-N-[3-(dimethylamino)propyl]-2,4-difluoro-N-methylbenzamide?
The canonical SMILES for 5-amino-N-[3-(dimethylamino)propyl]-2,4-difluoro-N-methylbenzamide is CN(C)CCCN(C)C(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-N-[3-(dimethylamino)propyl]-2,4-difluoro-N-methylbenzamide?
The InChIKey is ZRWGYFCZBINCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O/c1-17(2)5-4-6-18(3)13(19)9-7-12(16)11(15)8-10(9)14/h7-8H,4-6,16H2,1-3H3.
What are the key properties of 5-amino-N-[3-(dimethylamino)propyl]-2,4-difluoro-N-methylbenzamide?
5-amino-N-[3-(dimethylamino)propyl]-2,4-difluoro-N-methylbenzamide has a molecular weight of 271.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(dimethylamino)propyl]-2,4-difluoro-N-methylbenzamide is sourced from PubChem (CID 63693725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).