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

C19H24FN3O — CID 109037588

IUPACN-[4-(diethylamino)phenyl]-3-(2-fluoroanilino)propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCNc2ccccc2F)cc1
InChIInChI=1S/C19H24FN3O/c1-3-23(4-2)16-11-9-15(10-12-16)22-19(24)13-14-21-18-8-6-5-7-17(18)20/h5-12,21H,3-4,13-14H2,1-2H3,(H,22,24)
InChIKeyBONLEMPJKFAZRC-UHFFFAOYSA-N
MW329.42 g/mol
LogP4.11
Rot. Bonds8

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

N-[4-(diethylamino)phenyl]-3-(2-fluoroanilino)propanamide (PubChem CID 109037588) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-3-(2-fluoroanilino)propanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-3-(2-fluoroanilino)propanamide
PubChem CID109037588
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC NameN-[4-(diethylamino)phenyl]-3-(2-fluoroanilino)propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCNc2ccccc2F)cc1
InChIInChI=1S/C19H24FN3O/c1-3-23(4-2)16-11-9-15(10-12-16)22-19(24)13-14-21-18-8-6-5-7-17(18)20/h5-12,21H,3-4,13-14H2,1-2H3,(H,22,24)
InChIKeyBONLEMPJKFAZRC-UHFFFAOYSA-N
XLogP4.11
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.11
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-(2-fluoroanilino)-N-(4-methylphenyl)propanamide
CID 109034353
N-[4-(diethylamino)phenyl]-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020959
3-[4-(diethylamino)anilino]-N-(2-ethoxyphenyl)propanamide
CID 109039756
N-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide
CID 109038169
3-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)propanamide
CID 109041734
3-(4-acetamidoanilino)-N-(2-fluorophenyl)propanamide
CID 109037500
N-[4-(diethylamino)phenyl]-3-(4-propan-2-ylanilino)propanamide
CID 109036938
3-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 109041719
3-[4-(diethylamino)-2-methylanilino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109040830
N-[4-(diethylamino)phenyl]-2-fluorobenzamide
CID 842943
3-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 109036621
N-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyanilino)propanamide
CID 109039466

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-3-(2-fluoroanilino)propanamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-3-(2-fluoroanilino)propanamide (CID 109037588) is N-[4-(diethylamino)phenyl]-3-(2-fluoroanilino)propanamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-3-(2-fluoroanilino)propanamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-3-(2-fluoroanilino)propanamide is CCN(CC)c1ccc(NC(=O)CCNc2ccccc2F)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-3-(2-fluoroanilino)propanamide?
The InChIKey is BONLEMPJKFAZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-3-23(4-2)16-11-9-15(10-12-16)22-19(24)13-14-21-18-8-6-5-7-17(18)20/h5-12,21H,3-4,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-[4-(diethylamino)phenyl]-3-(2-fluoroanilino)propanamide?
N-[4-(diethylamino)phenyl]-3-(2-fluoroanilino)propanamide has a molecular weight of 329.42 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-3-(2-fluoroanilino)propanamide is sourced from PubChem (CID 109037588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).