N-(4-chloro-3-methoxyphenyl)-2,6-difluorobenzamide

C14H10ClF2NO2 — CID 56587892

IUPACN-(4-chloro-3-methoxyphenyl)-2,6-difluorobenzamide
SMILESCOc1cc(NC(=O)c2c(F)cccc2F)ccc1Cl
InChIInChI=1S/C14H10ClF2NO2/c1-20-12-7-8(5-6-9(12)15)18-14(19)13-10(16)3-2-4-11(13)17/h2-7H,1H3,(H,18,19)
InChIKeyVNXPJFYHWSJFAZ-UHFFFAOYSA-N
MW297.69 g/mol
LogP3.88
Rot. Bonds3

About N-(4-chloro-3-methoxyphenyl)-2,6-difluorobenzamide

N-(4-chloro-3-methoxyphenyl)-2,6-difluorobenzamide (PubChem CID 56587892) has the molecular formula C14H10ClF2NO2 and a molecular weight of 297.69 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)-2,6-difluorobenzamide
PubChem CID56587892
Molecular FormulaC14H10ClF2NO2
Molecular Weight297.69 g/mol
Exact Mass297.04
IUPAC NameN-(4-chloro-3-methoxyphenyl)-2,6-difluorobenzamide
SMILESCOc1cc(NC(=O)c2c(F)cccc2F)ccc1Cl
InChIInChI=1S/C14H10ClF2NO2/c1-20-12-7-8(5-6-9(12)15)18-14(19)13-10(16)3-2-4-11(13)17/h2-7H,1H3,(H,18,19)
InChIKeyVNXPJFYHWSJFAZ-UHFFFAOYSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.69
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)-2,6-difluorobenzamide?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)-2,6-difluorobenzamide (CID 56587892) is N-(4-chloro-3-methoxyphenyl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)-2,6-difluorobenzamide?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)-2,6-difluorobenzamide is COc1cc(NC(=O)c2c(F)cccc2F)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)-2,6-difluorobenzamide?
The InChIKey is VNXPJFYHWSJFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO2/c1-20-12-7-8(5-6-9(12)15)18-14(19)13-10(16)3-2-4-11(13)17/h2-7H,1H3,(H,18,19).
What are the key properties of N-(4-chloro-3-methoxyphenyl)-2,6-difluorobenzamide?
N-(4-chloro-3-methoxyphenyl)-2,6-difluorobenzamide has a molecular weight of 297.69 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)-2,6-difluorobenzamide is sourced from PubChem (CID 56587892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).