3-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)propanamide

C19H23F2N3O — CID 109041734

IUPAC3-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)propanamide
SMILESCCN(CC)c1ccc(NCCC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C19H23F2N3O/c1-3-24(4-2)16-8-6-15(7-9-16)22-12-11-19(25)23-18-10-5-14(20)13-17(18)21/h5-10,13,22H,3-4,11-12H2,1-2H3,(H,23,25)
InChIKeyMBRPOJUGALSLBM-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.25
Rot. Bonds8

About 3-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)propanamide

3-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)propanamide (PubChem CID 109041734) has the molecular formula C19H23F2N3O and a molecular weight of 347.41 g/mol. Its IUPAC name is 3-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)propanamide
PubChem CID109041734
Molecular FormulaC19H23F2N3O
Molecular Weight347.41 g/mol
Exact Mass347.18
IUPAC Name3-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)propanamide
SMILESCCN(CC)c1ccc(NCCC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C19H23F2N3O/c1-3-24(4-2)16-8-6-15(7-9-16)22-12-11-19(25)23-18-10-5-14(20)13-17(18)21/h5-10,13,22H,3-4,11-12H2,1-2H3,(H,23,25)
InChIKeyMBRPOJUGALSLBM-UHFFFAOYSA-N
XLogP4.25
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)phenyl]-N'-(2,4-difluorophenyl)oxamide
CID 108530640
1-[4-(diethylamino)phenyl]-3-(2,4-difluorophenyl)urea
CID 970808
N-(4-acetamidophenyl)-3-(2,4-difluoroanilino)propanamide
CID 109041216
N-(2,4-difluorophenyl)-3-(3,5-dimethylanilino)propanamide
CID 109035743
2-[N-acetyl-4-(diethylamino)anilino]-N-(2,4-difluorophenyl)acetamide
CID 113176939
N-[4-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide
CID 109042083
N-[4-(diethylamino)phenyl]-3-(2-fluoroanilino)propanamide
CID 109037588
3-[4-(diethylamino)anilino]-N-(2-ethoxyphenyl)propanamide
CID 109039756
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide
CID 670678
N-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide
CID 109038169
N-[4-(diethylamino)phenyl]-3-(4-propan-2-ylanilino)propanamide
CID 109036938
methyl 4-[[3-[4-(diethylamino)-2-methylanilino]-3-oxopropyl]amino]benzoate
CID 109041546

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of 3-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)propanamide (CID 109041734) is 3-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 3-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)propanamide is CCN(CC)c1ccc(NCCC(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of 3-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)propanamide?
The InChIKey is MBRPOJUGALSLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O/c1-3-24(4-2)16-8-6-15(7-9-16)22-12-11-19(25)23-18-10-5-14(20)13-17(18)21/h5-10,13,22H,3-4,11-12H2,1-2H3,(H,23,25).
What are the key properties of 3-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)propanamide?
3-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)propanamide has a molecular weight of 347.41 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 109041734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).