3-amino-N-ethyl-2,6-difluoro-N-propylbenzamide

C12H16F2N2O — CID 79773079

IUPAC3-amino-N-ethyl-2,6-difluoro-N-propylbenzamide
SMILESCCCN(CC)C(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C12H16F2N2O/c1-3-7-16(4-2)12(17)10-8(13)5-6-9(15)11(10)14/h5-6H,3-4,7,15H2,1-2H3
InChIKeyNDJDFUADPFQEAC-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.42
Rot. Bonds4

About 3-amino-N-ethyl-2,6-difluoro-N-propylbenzamide

3-amino-N-ethyl-2,6-difluoro-N-propylbenzamide (PubChem CID 79773079) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-amino-N-ethyl-2,6-difluoro-N-propylbenzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-2,6-difluoro-N-propylbenzamide
PubChem CID79773079
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name3-amino-N-ethyl-2,6-difluoro-N-propylbenzamide
SMILESCCCN(CC)C(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C12H16F2N2O/c1-3-7-16(4-2)12(17)10-8(13)5-6-9(15)11(10)14/h5-6H,3-4,7,15H2,1-2H3
InChIKeyNDJDFUADPFQEAC-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'}

Analyze 3-amino-N-ethyl-2,6-difluoro-N-propylbenzamide 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-ethyl-2,6-difluoro-3-nitro-N-propylbenzamide
CID 113252601
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,6-difluorobenzamide
CID 79757915
3-amino-N-ethyl-2,6-difluoro-N-(4-fluorophenyl)benzamide
CID 79758297
3-amino-N-[2-[ethyl(methyl)amino]ethyl]-2,6-difluorobenzamide
CID 79772967
3-amino-N-(2-amino-2-oxoethyl)-2,6-difluoro-N-(2-methylpropyl)benzamide
CID 79773800
3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide
CID 79773295
3-amino-N-ethyl-5-fluoro-4-methyl-N-propylbenzamide
CID 54927290
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,6-difluoro-3-methylbenzamide
CID 82815244
ethyl 3-amino-2,6-difluorobenzoate
CID 23137423
2-amino-N-ethyl-6-methyl-N-propylbenzamide
CID 43268247
2-amino-N-ethyl-5-methyl-N-propylbenzamide
CID 62511065
butyl 3-amino-2,6-difluorobenzoate
CID 70315596

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-2,6-difluoro-N-propylbenzamide?
The IUPAC name of 3-amino-N-ethyl-2,6-difluoro-N-propylbenzamide (CID 79773079) is 3-amino-N-ethyl-2,6-difluoro-N-propylbenzamide.
What is the SMILES notation for 3-amino-N-ethyl-2,6-difluoro-N-propylbenzamide?
The canonical SMILES for 3-amino-N-ethyl-2,6-difluoro-N-propylbenzamide is CCCN(CC)C(=O)c1c(F)ccc(N)c1F.
What is the InChIKey of 3-amino-N-ethyl-2,6-difluoro-N-propylbenzamide?
The InChIKey is NDJDFUADPFQEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-3-7-16(4-2)12(17)10-8(13)5-6-9(15)11(10)14/h5-6H,3-4,7,15H2,1-2H3.
What are the key properties of 3-amino-N-ethyl-2,6-difluoro-N-propylbenzamide?
3-amino-N-ethyl-2,6-difluoro-N-propylbenzamide 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 3-amino-N-ethyl-2,6-difluoro-N-propylbenzamide is sourced from PubChem (CID 79773079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).