2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-fluorobenzamide

C20H23ClFN3O2 — CID 2621598

IUPAC2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-fluorobenzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C20H23ClFN3O2/c1-3-25(4-2)13-12-23-19(26)14-8-10-15(11-9-14)24-20(27)18-16(21)6-5-7-17(18)22/h5-11H,3-4,12-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyZCMUHSGGDJMQIN-UHFFFAOYSA-N
MW391.87 g/mol
LogP3.80
Rot. Bonds8

About 2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-fluorobenzamide

2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-fluorobenzamide (PubChem CID 2621598) has the molecular formula C20H23ClFN3O2 and a molecular weight of 391.87 g/mol. Its IUPAC name is 2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-fluorobenzamide
PubChem CID2621598
Molecular FormulaC20H23ClFN3O2
Molecular Weight391.87 g/mol
Exact Mass391.15
IUPAC Name2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-fluorobenzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)c2c(F)cccc2Cl)cc1
InChIInChI=1S/C20H23ClFN3O2/c1-3-25(4-2)13-12-23-19(26)14-8-10-15(11-9-14)24-20(27)18-16(21)6-5-7-17(18)22/h5-11H,3-4,12-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyZCMUHSGGDJMQIN-UHFFFAOYSA-N
XLogP3.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.87
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-fluorobenzamide (CID 2621598) is 2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-fluorobenzamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)c2c(F)cccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-fluorobenzamide?
The InChIKey is ZCMUHSGGDJMQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN3O2/c1-3-25(4-2)13-12-23-19(26)14-8-10-15(11-9-14)24-20(27)18-16(21)6-5-7-17(18)22/h5-11H,3-4,12-13H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-fluorobenzamide?
2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-fluorobenzamide has a molecular weight of 391.87 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-6-fluorobenzamide is sourced from PubChem (CID 2621598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).