5-amino-N-butyl-2,4-difluoro-N-methylbenzamide

C12H16F2N2O — CID 61091185

IUPAC5-amino-N-butyl-2,4-difluoro-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C12H16F2N2O/c1-3-4-5-16(2)12(17)8-6-11(15)10(14)7-9(8)13/h6-7H,3-5,15H2,1-2H3
InChIKeyDTEGFNCNAPHZSX-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.42
Rot. Bonds4

About 5-amino-N-butyl-2,4-difluoro-N-methylbenzamide

5-amino-N-butyl-2,4-difluoro-N-methylbenzamide (PubChem CID 61091185) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-amino-N-butyl-2,4-difluoro-N-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-butyl-2,4-difluoro-N-methylbenzamide
PubChem CID61091185
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name5-amino-N-butyl-2,4-difluoro-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C12H16F2N2O/c1-3-4-5-16(2)12(17)8-6-11(15)10(14)7-9(8)13/h6-7H,3-5,15H2,1-2H3
InChIKeyDTEGFNCNAPHZSX-UHFFFAOYSA-N
XLogP2.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,4-difluoro-N-methyl-N-propylbenzamide
CID 61095171
5-amino-N-[3-(dimethylamino)propyl]-2,4-difluoro-N-methylbenzamide
CID 63693725
5-amino-N,N-dibutyl-2,4-difluorobenzamide
CID 61095334
5-amino-2,4-difluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107197364
5-amino-N-butyl-2-fluoro-N-methylbenzamide
CID 43510775
5-[butyl(methyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride
CID 65371988
N-butyl-2,4-difluoro-N-methylbenzamide
CID 86978137
5-amino-2,4-difluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63207024
5-amino-2-bromo-N,N-dibutyl-4-fluorobenzamide
CID 62815244
3-amino-2,5-difluoro-N-methyl-N-pentylbenzamide
CID 107120492
N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide
CID 103829638
N-(5-aminopentyl)-2,4-difluoro-N,5-dimethylbenzamide
CID 107206627

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butyl-2,4-difluoro-N-methylbenzamide?
The IUPAC name of 5-amino-N-butyl-2,4-difluoro-N-methylbenzamide (CID 61091185) is 5-amino-N-butyl-2,4-difluoro-N-methylbenzamide.
What is the SMILES notation for 5-amino-N-butyl-2,4-difluoro-N-methylbenzamide?
The canonical SMILES for 5-amino-N-butyl-2,4-difluoro-N-methylbenzamide is CCCCN(C)C(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-N-butyl-2,4-difluoro-N-methylbenzamide?
The InChIKey is DTEGFNCNAPHZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-3-4-5-16(2)12(17)8-6-11(15)10(14)7-9(8)13/h6-7H,3-5,15H2,1-2H3.
What are the key properties of 5-amino-N-butyl-2,4-difluoro-N-methylbenzamide?
5-amino-N-butyl-2,4-difluoro-N-methylbenzamide has a molecular weight of 242.27 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butyl-2,4-difluoro-N-methylbenzamide is sourced from PubChem (CID 61091185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).