N-[5-chloro-2-(propylcarbamoyl)phenyl]-2,6-difluorobenzamide

C17H15ClF2N2O2 — CID 44577457

IUPACN-[5-chloro-2-(propylcarbamoyl)phenyl]-2,6-difluorobenzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C17H15ClF2N2O2/c1-2-8-21-16(23)11-7-6-10(18)9-14(11)22-17(24)15-12(19)4-3-5-13(15)20/h3-7,9H,2,8H2,1H3,(H,21,23)(H,22,24)
InChIKeyUFXWMKRDUOTLKR-UHFFFAOYSA-N
MW352.77 g/mol
LogP4.01
Rot. Bonds5

About N-[5-chloro-2-(propylcarbamoyl)phenyl]-2,6-difluorobenzamide

N-[5-chloro-2-(propylcarbamoyl)phenyl]-2,6-difluorobenzamide (PubChem CID 44577457) has the molecular formula C17H15ClF2N2O2 and a molecular weight of 352.77 g/mol. Its IUPAC name is N-[5-chloro-2-(propylcarbamoyl)phenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(propylcarbamoyl)phenyl]-2,6-difluorobenzamide
PubChem CID44577457
Molecular FormulaC17H15ClF2N2O2
Molecular Weight352.77 g/mol
Exact Mass352.08
IUPAC NameN-[5-chloro-2-(propylcarbamoyl)phenyl]-2,6-difluorobenzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C17H15ClF2N2O2/c1-2-8-21-16(23)11-7-6-10(18)9-14(11)22-17(24)15-12(19)4-3-5-13(15)20/h3-7,9H,2,8H2,1H3,(H,21,23)(H,22,24)
InChIKeyUFXWMKRDUOTLKR-UHFFFAOYSA-N
XLogP4.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(propylcarbamoyl)phenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-chloro-2-(propylcarbamoyl)phenyl]-2,6-difluorobenzamide (CID 44577457) is N-[5-chloro-2-(propylcarbamoyl)phenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-chloro-2-(propylcarbamoyl)phenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-chloro-2-(propylcarbamoyl)phenyl]-2,6-difluorobenzamide is CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1c(F)cccc1F.
What is the InChIKey of N-[5-chloro-2-(propylcarbamoyl)phenyl]-2,6-difluorobenzamide?
The InChIKey is UFXWMKRDUOTLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O2/c1-2-8-21-16(23)11-7-6-10(18)9-14(11)22-17(24)15-12(19)4-3-5-13(15)20/h3-7,9H,2,8H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[5-chloro-2-(propylcarbamoyl)phenyl]-2,6-difluorobenzamide?
N-[5-chloro-2-(propylcarbamoyl)phenyl]-2,6-difluorobenzamide has a molecular weight of 352.77 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(propylcarbamoyl)phenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 44577457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).