N,N-dibutyl-3,5-difluoro-4-(methylamino)benzamide

C16H24F2N2O — CID 63187331

IUPACN,N-dibutyl-3,5-difluoro-4-(methylamino)benzamide
SMILESCCCCN(CCCC)C(=O)c1cc(F)c(NC)c(F)c1
InChIInChI=1S/C16H24F2N2O/c1-4-6-8-20(9-7-5-2)16(21)12-10-13(17)15(19-3)14(18)11-12/h10-11,19H,4-9H2,1-3H3
InChIKeyFNUZFJGCCPJNNU-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.05
Rot. Bonds8

About N,N-dibutyl-3,5-difluoro-4-(methylamino)benzamide

N,N-dibutyl-3,5-difluoro-4-(methylamino)benzamide (PubChem CID 63187331) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is N,N-dibutyl-3,5-difluoro-4-(methylamino)benzamide.

Molecular Properties

Compound NameN,N-dibutyl-3,5-difluoro-4-(methylamino)benzamide
PubChem CID63187331
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC NameN,N-dibutyl-3,5-difluoro-4-(methylamino)benzamide
SMILESCCCCN(CCCC)C(=O)c1cc(F)c(NC)c(F)c1
InChIInChI=1S/C16H24F2N2O/c1-4-6-8-20(9-7-5-2)16(21)12-10-13(17)15(19-3)14(18)11-12/h10-11,19H,4-9H2,1-3H3
InChIKeyFNUZFJGCCPJNNU-UHFFFAOYSA-N
XLogP4.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,N-dibutyl-3,5-difluoro-4-(methylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dibutyl-3,4,5-trifluorobenzamide
CID 63188520
3,5-difluoro-4-(methylamino)-N-pentylbenzamide
CID 63183966
N-cyclopropyl-3,5-difluoro-4-(methylamino)-N-propylbenzamide
CID 63187160
4-bromo-3-fluoro-N,N-dipentylbenzamide
CID 63524944
N-ethyl-3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 63185072
3-bromo-N,N-dibutyl-4-fluorobenzamide
CID 103706821
N-butyl-3,5-dimethyl-N-propylbenzamide
CID 142843547
N-(3-aminopropyl)-N-ethyl-3,4,5-trifluorobenzamide
CID 63183829
3-amino-N-butyl-5-fluoro-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 61107685
N-butyl-3,5-dimethyl-N-propylbenzamide;ethane
CID 142843546
N,N-diethyl-4-(ethylamino)-3,5-difluorobenzamide
CID 55160588
N,N-dibutyl-3,5-dimethoxybenzamide
CID 4198508

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3,5-difluoro-4-(methylamino)benzamide?
The IUPAC name of N,N-dibutyl-3,5-difluoro-4-(methylamino)benzamide (CID 63187331) is N,N-dibutyl-3,5-difluoro-4-(methylamino)benzamide.
What is the SMILES notation for N,N-dibutyl-3,5-difluoro-4-(methylamino)benzamide?
The canonical SMILES for N,N-dibutyl-3,5-difluoro-4-(methylamino)benzamide is CCCCN(CCCC)C(=O)c1cc(F)c(NC)c(F)c1.
What is the InChIKey of N,N-dibutyl-3,5-difluoro-4-(methylamino)benzamide?
The InChIKey is FNUZFJGCCPJNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-4-6-8-20(9-7-5-2)16(21)12-10-13(17)15(19-3)14(18)11-12/h10-11,19H,4-9H2,1-3H3.
What are the key properties of N,N-dibutyl-3,5-difluoro-4-(methylamino)benzamide?
N,N-dibutyl-3,5-difluoro-4-(methylamino)benzamide has a molecular weight of 298.38 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3,5-difluoro-4-(methylamino)benzamide is sourced from PubChem (CID 63187331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).