N-[2-cyano-4-[1-(4-fluorophenyl)ethylcarbamoylamino]phenyl]-2-fluorobenzamide

C23H18F2N4O2 — CID 22012704

IUPACN-[2-cyano-4-[1-(4-fluorophenyl)ethylcarbamoylamino]phenyl]-2-fluorobenzamide
SMILESCC(NC(=O)Nc1ccc(NC(=O)c2ccccc2F)c(C#N)c1)c1ccc(F)cc1
InChIInChI=1S/C23H18F2N4O2/c1-14(15-6-8-17(24)9-7-15)27-23(31)28-18-10-11-21(16(12-18)13-26)29-22(30)19-4-2-3-5-20(19)25/h2-12,14H,1H3,(H,29,30)(H2,27,28,31)
InChIKeyNLTZVZNVDCUUFP-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.97
Rot. Bonds5

About N-[2-cyano-4-[1-(4-fluorophenyl)ethylcarbamoylamino]phenyl]-2-fluorobenzamide

N-[2-cyano-4-[1-(4-fluorophenyl)ethylcarbamoylamino]phenyl]-2-fluorobenzamide (PubChem CID 22012704) has the molecular formula C23H18F2N4O2 and a molecular weight of 420.42 g/mol. Its IUPAC name is N-[2-cyano-4-[1-(4-fluorophenyl)ethylcarbamoylamino]phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-cyano-4-[1-(4-fluorophenyl)ethylcarbamoylamino]phenyl]-2-fluorobenzamide
PubChem CID22012704
Molecular FormulaC23H18F2N4O2
Molecular Weight420.42 g/mol
Exact Mass420.14
IUPAC NameN-[2-cyano-4-[1-(4-fluorophenyl)ethylcarbamoylamino]phenyl]-2-fluorobenzamide
SMILESCC(NC(=O)Nc1ccc(NC(=O)c2ccccc2F)c(C#N)c1)c1ccc(F)cc1
InChIInChI=1S/C23H18F2N4O2/c1-14(15-6-8-17(24)9-7-15)27-23(31)28-18-10-11-21(16(12-18)13-26)29-22(30)19-4-2-3-5-20(19)25/h2-12,14H,1H3,(H,29,30)(H2,27,28,31)
InChIKeyNLTZVZNVDCUUFP-UHFFFAOYSA-N
XLogP4.97
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyano-4-[1-(4-fluorophenyl)ethylcarbamoylamino]phenyl]-2-fluorobenzamide?
The IUPAC name of N-[2-cyano-4-[1-(4-fluorophenyl)ethylcarbamoylamino]phenyl]-2-fluorobenzamide (CID 22012704) is N-[2-cyano-4-[1-(4-fluorophenyl)ethylcarbamoylamino]phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-cyano-4-[1-(4-fluorophenyl)ethylcarbamoylamino]phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-cyano-4-[1-(4-fluorophenyl)ethylcarbamoylamino]phenyl]-2-fluorobenzamide is CC(NC(=O)Nc1ccc(NC(=O)c2ccccc2F)c(C#N)c1)c1ccc(F)cc1.
What is the InChIKey of N-[2-cyano-4-[1-(4-fluorophenyl)ethylcarbamoylamino]phenyl]-2-fluorobenzamide?
The InChIKey is NLTZVZNVDCUUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O2/c1-14(15-6-8-17(24)9-7-15)27-23(31)28-18-10-11-21(16(12-18)13-26)29-22(30)19-4-2-3-5-20(19)25/h2-12,14H,1H3,(H,29,30)(H2,27,28,31).
What are the key properties of N-[2-cyano-4-[1-(4-fluorophenyl)ethylcarbamoylamino]phenyl]-2-fluorobenzamide?
N-[2-cyano-4-[1-(4-fluorophenyl)ethylcarbamoylamino]phenyl]-2-fluorobenzamide has a molecular weight of 420.42 g/mol, XLogP of 4.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyano-4-[1-(4-fluorophenyl)ethylcarbamoylamino]phenyl]-2-fluorobenzamide is sourced from PubChem (CID 22012704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).