4-cyano-N-[4-(diethylamino)-2-methylphenyl]-2-fluorobenzamide

C19H20FN3O — CID 952855

IUPAC4-cyano-N-[4-(diethylamino)-2-methylphenyl]-2-fluorobenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(C#N)cc2F)c(C)c1
InChIInChI=1S/C19H20FN3O/c1-4-23(5-2)15-7-9-18(13(3)10-15)22-19(24)16-8-6-14(12-21)11-17(16)20/h6-11H,4-5H2,1-3H3,(H,22,24)
InChIKeyWXHVLLPRACECCX-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.10
Rot. Bonds5

About 4-cyano-N-[4-(diethylamino)-2-methylphenyl]-2-fluorobenzamide

4-cyano-N-[4-(diethylamino)-2-methylphenyl]-2-fluorobenzamide (PubChem CID 952855) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-cyano-N-[4-(diethylamino)-2-methylphenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-cyano-N-[4-(diethylamino)-2-methylphenyl]-2-fluorobenzamide
PubChem CID952855
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name4-cyano-N-[4-(diethylamino)-2-methylphenyl]-2-fluorobenzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(C#N)cc2F)c(C)c1
InChIInChI=1S/C19H20FN3O/c1-4-23(5-2)15-7-9-18(13(3)10-15)22-19(24)16-8-6-14(12-21)11-17(16)20/h6-11H,4-5H2,1-3H3,(H,22,24)
InChIKeyWXHVLLPRACECCX-UHFFFAOYSA-N
XLogP4.10
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
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

4-cyano-N-[4-(diethylamino)phenyl]-2-fluorobenzamide
CID 2995098
N-(4-cyano-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103820430
methyl 2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]benzoate
CID 108785560
4-cyano-N-[4-(diethylaminomethyl)phenyl]-2-fluorobenzamide
CID 959360
methyl 3-[(4-cyano-2-fluorobenzoyl)amino]-4-methylbenzoate
CID 2992050
4-cyano-2-fluoro-N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 17131998
5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide
CID 115532718
4-cyano-2-fluoro-N-(4-methyl-2-nitrophenyl)benzamide
CID 17102128
N-[4-(diethylamino)-2-methylphenyl]-N'-(2,6-difluorophenyl)oxamide
CID 108522130
N-(5-cyano-2-methylphenyl)-2-fluorobenzamide
CID 47475835
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-(diethylamino)-2-methylphenyl]-2-fluorobenzamide?
The IUPAC name of 4-cyano-N-[4-(diethylamino)-2-methylphenyl]-2-fluorobenzamide (CID 952855) is 4-cyano-N-[4-(diethylamino)-2-methylphenyl]-2-fluorobenzamide.
What is the SMILES notation for 4-cyano-N-[4-(diethylamino)-2-methylphenyl]-2-fluorobenzamide?
The canonical SMILES for 4-cyano-N-[4-(diethylamino)-2-methylphenyl]-2-fluorobenzamide is CCN(CC)c1ccc(NC(=O)c2ccc(C#N)cc2F)c(C)c1.
What is the InChIKey of 4-cyano-N-[4-(diethylamino)-2-methylphenyl]-2-fluorobenzamide?
The InChIKey is WXHVLLPRACECCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-4-23(5-2)15-7-9-18(13(3)10-15)22-19(24)16-8-6-14(12-21)11-17(16)20/h6-11H,4-5H2,1-3H3,(H,22,24).
What are the key properties of 4-cyano-N-[4-(diethylamino)-2-methylphenyl]-2-fluorobenzamide?
4-cyano-N-[4-(diethylamino)-2-methylphenyl]-2-fluorobenzamide has a molecular weight of 325.39 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-(diethylamino)-2-methylphenyl]-2-fluorobenzamide is sourced from PubChem (CID 952855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).