N-[4-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide

C20H26FN3O — CID 109042083

IUPACN-[4-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCNc2cccc(F)c2)c(C)c1
InChIInChI=1S/C20H26FN3O/c1-4-24(5-2)18-9-10-19(15(3)13-18)23-20(25)11-12-22-17-8-6-7-16(21)14-17/h6-10,13-14,22H,4-5,11-12H2,1-3H3,(H,23,25)
InChIKeyYVISXTXFACPNGB-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.42
Rot. Bonds8

About N-[4-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide

N-[4-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide (PubChem CID 109042083) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide
PubChem CID109042083
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCNc2cccc(F)c2)c(C)c1
InChIInChI=1S/C20H26FN3O/c1-4-24(5-2)18-9-10-19(15(3)13-18)23-20(25)11-12-22-17-8-6-7-16(21)14-17/h6-10,13-14,22H,4-5,11-12H2,1-3H3,(H,23,25)
InChIKeyYVISXTXFACPNGB-UHFFFAOYSA-N
XLogP4.42
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.42
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

3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 109041180
1-[4-(diethylamino)-2-methylphenyl]-3-(3-fluorophenyl)urea
CID 108894002
3-[4-(diethylamino)-2-methylanilino]-N-(2,3-dimethylphenyl)propanamide
CID 109036004
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-fluorobenzamide
CID 113001652
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyanilino)propanamide
CID 109039466
methyl 4-[[3-[4-(diethylamino)-2-methylanilino]-3-oxopropyl]amino]benzoate
CID 109041546
3-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)propanamide
CID 109041734
N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide
CID 109007443
N-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide
CID 109038169
N-[4-(diethylamino)-2-methylphenyl]-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020993
N-[4-(diethylamino)-2-methylphenyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019401

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide (CID 109042083) is N-[4-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide is CCN(CC)c1ccc(NC(=O)CCNc2cccc(F)c2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide?
The InChIKey is YVISXTXFACPNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-4-24(5-2)18-9-10-19(15(3)13-18)23-20(25)11-12-22-17-8-6-7-16(21)14-17/h6-10,13-14,22H,4-5,11-12H2,1-3H3,(H,23,25).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide?
N-[4-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide has a molecular weight of 343.45 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide is sourced from PubChem (CID 109042083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).