N-[3-[[6-(diethylamino)-3-pyridinyl]amino]-3-oxopropyl]-2,4-difluorobenzamide

C19H22F2N4O2 — CID 55784346

IUPACN-[3-[[6-(diethylamino)-3-pyridinyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESCCN(CC)c1ccc(NC(=O)CCNC(=O)c2ccc(F)cc2F)cn1
InChIInChI=1S/C19H22F2N4O2/c1-3-25(4-2)17-8-6-14(12-23-17)24-18(26)9-10-22-19(27)15-7-5-13(20)11-16(15)21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyBTBKLHGRRNYRKN-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.96
Rot. Bonds8

About N-[3-[[6-(diethylamino)-3-pyridinyl]amino]-3-oxopropyl]-2,4-difluorobenzamide

N-[3-[[6-(diethylamino)-3-pyridinyl]amino]-3-oxopropyl]-2,4-difluorobenzamide (PubChem CID 55784346) has the molecular formula C19H22F2N4O2 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-[3-[[6-(diethylamino)-3-pyridinyl]amino]-3-oxopropyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-[[6-(diethylamino)-3-pyridinyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
PubChem CID55784346
Molecular FormulaC19H22F2N4O2
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC NameN-[3-[[6-(diethylamino)-3-pyridinyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESCCN(CC)c1ccc(NC(=O)CCNC(=O)c2ccc(F)cc2F)cn1
InChIInChI=1S/C19H22F2N4O2/c1-3-25(4-2)17-8-6-14(12-23-17)24-18(26)9-10-22-19(27)15-7-5-13(20)11-16(15)21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyBTBKLHGRRNYRKN-UHFFFAOYSA-N
XLogP2.96
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[[6-(diethylamino)-3-pyridinyl]amino]-3-oxopropyl]-2,4-difluorobenzamide 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-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-2,4-difluorobenzamide
CID 30489420
N-[3-[3-[(dimethylamino)methyl]anilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 86932094
N-[3-[4-[butyl(methyl)sulfamoyl]anilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 30669790
N-[3-[2-(diethylamino)propylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 46447028
2,4-difluoro-N-[4-(4-methylsulfanylanilino)-4-oxobutyl]benzamide
CID 27365072
methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]benzoate
CID 30493006
N-[4-(3,5-dimethylanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 78802707
N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2,4-difluorobenzamide
CID 46559091
2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide
CID 51314532
N-[3-(3-ethynylanilino)-3-oxopropyl]-2,4-difluorobenzamide
CID 134043041
2,4-difluoro-N-[4-oxo-4-[4-(phenylcarbamoylamino)anilino]butyl]benzamide
CID 30779997
methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]thiophene-2-carboxylate
CID 30670553

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-(diethylamino)-3-pyridinyl]amino]-3-oxopropyl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-[[6-(diethylamino)-3-pyridinyl]amino]-3-oxopropyl]-2,4-difluorobenzamide (CID 55784346) is N-[3-[[6-(diethylamino)-3-pyridinyl]amino]-3-oxopropyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-[[6-(diethylamino)-3-pyridinyl]amino]-3-oxopropyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-[[6-(diethylamino)-3-pyridinyl]amino]-3-oxopropyl]-2,4-difluorobenzamide is CCN(CC)c1ccc(NC(=O)CCNC(=O)c2ccc(F)cc2F)cn1.
What is the InChIKey of N-[3-[[6-(diethylamino)-3-pyridinyl]amino]-3-oxopropyl]-2,4-difluorobenzamide?
The InChIKey is BTBKLHGRRNYRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O2/c1-3-25(4-2)17-8-6-14(12-23-17)24-18(26)9-10-22-19(27)15-7-5-13(20)11-16(15)21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,27)(H,24,26).
What are the key properties of N-[3-[[6-(diethylamino)-3-pyridinyl]amino]-3-oxopropyl]-2,4-difluorobenzamide?
N-[3-[[6-(diethylamino)-3-pyridinyl]amino]-3-oxopropyl]-2,4-difluorobenzamide has a molecular weight of 376.41 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-(diethylamino)-3-pyridinyl]amino]-3-oxopropyl]-2,4-difluorobenzamide is sourced from PubChem (CID 55784346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).