N-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluorobenzamide

C15H11ClF2N2O2 — CID 22614282

IUPACN-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluorobenzamide
SMILESCN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClF2N2O2/c1-20(10-7-5-9(16)6-8-10)15(22)19-14(21)13-11(17)3-2-4-12(13)18/h2-8H,1H3,(H,19,21,22)
InChIKeyVAQGVRRABYVHFH-UHFFFAOYSA-N
MW324.71 g/mol
LogP3.60
Rot. Bonds2

About N-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluorobenzamide

N-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluorobenzamide (PubChem CID 22614282) has the molecular formula C15H11ClF2N2O2 and a molecular weight of 324.71 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluorobenzamide
PubChem CID22614282
Molecular FormulaC15H11ClF2N2O2
Molecular Weight324.71 g/mol
Exact Mass324.05
IUPAC NameN-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluorobenzamide
SMILESCN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClF2N2O2/c1-20(10-7-5-9(16)6-8-10)15(22)19-14(21)13-11(17)3-2-4-12(13)18/h2-8H,1H3,(H,19,21,22)
InChIKeyVAQGVRRABYVHFH-UHFFFAOYSA-N
XLogP3.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.71
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluorobenzamide (CID 22614282) is N-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluorobenzamide is CN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluorobenzamide?
The InChIKey is VAQGVRRABYVHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2O2/c1-20(10-7-5-9(16)6-8-10)15(22)19-14(21)13-11(17)3-2-4-12(13)18/h2-8H,1H3,(H,19,21,22).
What are the key properties of N-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluorobenzamide?
N-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluorobenzamide has a molecular weight of 324.71 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-methylcarbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 22614282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).