3-acetamido-N-[4-(diethylamino)phenyl]-4-fluorobenzamide

C19H22FN3O2 — CID 60564329

IUPAC3-acetamido-N-[4-(diethylamino)phenyl]-4-fluorobenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(F)c(NC(C)=O)c2)cc1
InChIInChI=1S/C19H22FN3O2/c1-4-23(5-2)16-9-7-15(8-10-16)22-19(25)14-6-11-17(20)18(12-14)21-13(3)24/h6-12H,4-5H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyUORJUIWACJZERY-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.88
Rot. Bonds6

About 3-acetamido-N-[4-(diethylamino)phenyl]-4-fluorobenzamide

3-acetamido-N-[4-(diethylamino)phenyl]-4-fluorobenzamide (PubChem CID 60564329) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 3-acetamido-N-[4-(diethylamino)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-acetamido-N-[4-(diethylamino)phenyl]-4-fluorobenzamide
PubChem CID60564329
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name3-acetamido-N-[4-(diethylamino)phenyl]-4-fluorobenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(F)c(NC(C)=O)c2)cc1
InChIInChI=1S/C19H22FN3O2/c1-4-23(5-2)16-9-7-15(8-10-16)22-19(25)14-6-11-17(20)18(12-14)21-13(3)24/h6-12H,4-5H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyUORJUIWACJZERY-UHFFFAOYSA-N
XLogP3.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.88
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

1-[4-(diethylamino)phenyl]-3-(2,5-difluorophenyl)urea
CID 3383505
4-(diethylamino)-N-(2-fluoro-5-nitrophenyl)benzamide
CID 23877677
3-amino-N-[4-(diethylamino)phenyl]-4-methylbenzamide
CID 28723656
N-[4-(diethylamino)phenyl]-6-fluoropyridine-3-carboxamide
CID 63973943
N-(3-acetamido-4-fluorophenyl)-4-ethoxybenzamide
CID 46632768
N-[4-(diethylamino)phenyl]-3-methylbenzamide
CID 835431
N-[4-(diethylamino)phenyl]-2H-benzotriazole-5-carboxamide
CID 17460824
N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide
CID 8761945
N-[4-(diethylamino)phenyl]-3-iodobenzamide
CID 2665797
3-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-4-fluorobenzamide
CID 60571271
3-acetamido-4-fluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 56787182
4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048527

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[4-(diethylamino)phenyl]-4-fluorobenzamide?
The IUPAC name of 3-acetamido-N-[4-(diethylamino)phenyl]-4-fluorobenzamide (CID 60564329) is 3-acetamido-N-[4-(diethylamino)phenyl]-4-fluorobenzamide.
What is the SMILES notation for 3-acetamido-N-[4-(diethylamino)phenyl]-4-fluorobenzamide?
The canonical SMILES for 3-acetamido-N-[4-(diethylamino)phenyl]-4-fluorobenzamide is CCN(CC)c1ccc(NC(=O)c2ccc(F)c(NC(C)=O)c2)cc1.
What is the InChIKey of 3-acetamido-N-[4-(diethylamino)phenyl]-4-fluorobenzamide?
The InChIKey is UORJUIWACJZERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-4-23(5-2)16-9-7-15(8-10-16)22-19(25)14-6-11-17(20)18(12-14)21-13(3)24/h6-12H,4-5H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 3-acetamido-N-[4-(diethylamino)phenyl]-4-fluorobenzamide?
3-acetamido-N-[4-(diethylamino)phenyl]-4-fluorobenzamide has a molecular weight of 343.40 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[4-(diethylamino)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 60564329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).