N-[(2-chlorophenyl)methyl]-2,6-difluorobenzamide

C14H10ClF2NO — CID 874655

IUPACN-[(2-chlorophenyl)methyl]-2,6-difluorobenzamide
SMILESO=C(NCc1ccccc1Cl)c1c(F)cccc1F
InChIInChI=1S/C14H10ClF2NO/c15-10-5-2-1-4-9(10)8-18-14(19)13-11(16)6-3-7-12(13)17/h1-7H,8H2,(H,18,19)
InChIKeyPFYYIINPLJXDKN-UHFFFAOYSA-N
MW281.69 g/mol
LogP3.55
Rot. Bonds3

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

N-[(2-chlorophenyl)methyl]-2,6-difluorobenzamide (PubChem CID 874655) has the molecular formula C14H10ClF2NO and a molecular weight of 281.69 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2,6-difluorobenzamide
PubChem CID874655
Molecular FormulaC14H10ClF2NO
Molecular Weight281.69 g/mol
Exact Mass281.04
IUPAC NameN-[(2-chlorophenyl)methyl]-2,6-difluorobenzamide
SMILESO=C(NCc1ccccc1Cl)c1c(F)cccc1F
InChIInChI=1S/C14H10ClF2NO/c15-10-5-2-1-4-9(10)8-18-14(19)13-11(16)6-3-7-12(13)17/h1-7H,8H2,(H,18,19)
InChIKeyPFYYIINPLJXDKN-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2,6-difluorobenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2,6-difluorobenzamide (CID 874655) is N-[(2-chlorophenyl)methyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2,6-difluorobenzamide is O=C(NCc1ccccc1Cl)c1c(F)cccc1F.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2,6-difluorobenzamide?
The InChIKey is PFYYIINPLJXDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO/c15-10-5-2-1-4-9(10)8-18-14(19)13-11(16)6-3-7-12(13)17/h1-7H,8H2,(H,18,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-2,6-difluorobenzamide?
N-[(2-chlorophenyl)methyl]-2,6-difluorobenzamide has a molecular weight of 281.69 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2,6-difluorobenzamide is sourced from PubChem (CID 874655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).