N-[5-amino-2-(diethylamino)phenyl]-4-fluorobenzamide

C17H20FN3O — CID 91675984

IUPACN-[5-amino-2-(diethylamino)phenyl]-4-fluorobenzamide
SMILESCCN(CC)c1ccc(N)cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O/c1-3-21(4-2)16-10-9-14(19)11-15(16)20-17(22)12-5-7-13(18)8-6-12/h5-11H,3-4,19H2,1-2H3,(H,20,22)
InChIKeyQMKXRBMSPQKEFN-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.51
Rot. Bonds5

About N-[5-amino-2-(diethylamino)phenyl]-4-fluorobenzamide

N-[5-amino-2-(diethylamino)phenyl]-4-fluorobenzamide (PubChem CID 91675984) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[5-amino-2-(diethylamino)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[5-amino-2-(diethylamino)phenyl]-4-fluorobenzamide
PubChem CID91675984
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC NameN-[5-amino-2-(diethylamino)phenyl]-4-fluorobenzamide
SMILESCCN(CC)c1ccc(N)cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O/c1-3-21(4-2)16-10-9-14(19)11-15(16)20-17(22)12-5-7-13(18)8-6-12/h5-11H,3-4,19H2,1-2H3,(H,20,22)
InChIKeyQMKXRBMSPQKEFN-UHFFFAOYSA-N
XLogP3.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 63116302
N-[2-(dimethylamino)-5-fluorophenyl]-4-fluorobenzamide
CID 113092466
N-[5-amino-2-(dimethylamino)phenyl]-4-propoxybenzamide
CID 91676031
4-amino-N-(4-fluoro-2-methylphenyl)benzamide
CID 16781461
N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxybenzamide
CID 59530569
N-[2-(dimethylamino)-5-fluorophenyl]benzamide
CID 113092460
N-[3-amino-4-(diethylamino)phenyl]-4-chlorobenzamide
CID 91676407
N-(5-amino-2-fluorophenyl)-4-propan-2-ylbenzamide
CID 18072371
N-(5-amino-2-methylphenyl)-4-(diethylsulfamoyl)benzamide
CID 28867137
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-ethylsulfanylbenzamide
CID 168913873
N-[5-amino-2-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 91675954
N-(5-amino-2-fluorophenyl)-3,4,5-triethoxybenzamide
CID 16778120

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-(diethylamino)phenyl]-4-fluorobenzamide?
The IUPAC name of N-[5-amino-2-(diethylamino)phenyl]-4-fluorobenzamide (CID 91675984) is N-[5-amino-2-(diethylamino)phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[5-amino-2-(diethylamino)phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[5-amino-2-(diethylamino)phenyl]-4-fluorobenzamide is CCN(CC)c1ccc(N)cc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[5-amino-2-(diethylamino)phenyl]-4-fluorobenzamide?
The InChIKey is QMKXRBMSPQKEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-3-21(4-2)16-10-9-14(19)11-15(16)20-17(22)12-5-7-13(18)8-6-12/h5-11H,3-4,19H2,1-2H3,(H,20,22).
What are the key properties of N-[5-amino-2-(diethylamino)phenyl]-4-fluorobenzamide?
N-[5-amino-2-(diethylamino)phenyl]-4-fluorobenzamide has a molecular weight of 301.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-(diethylamino)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 91675984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).