N-(3-chloro-4-methoxyphenyl)-3-fluorobenzamide

C14H11ClFNO2 — CID 877308

IUPACN-(3-chloro-4-methoxyphenyl)-3-fluorobenzamide
SMILESCOc1ccc(NC(=O)c2cccc(F)c2)cc1Cl
InChIInChI=1S/C14H11ClFNO2/c1-19-13-6-5-11(8-12(13)15)17-14(18)9-3-2-4-10(16)7-9/h2-8H,1H3,(H,17,18)
InChIKeyLJXJEXVXPIYSDG-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.74
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-3-fluorobenzamide

N-(3-chloro-4-methoxyphenyl)-3-fluorobenzamide (PubChem CID 877308) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-fluorobenzamide
PubChem CID877308
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-fluorobenzamide
SMILESCOc1ccc(NC(=O)c2cccc(F)c2)cc1Cl
InChIInChI=1S/C14H11ClFNO2/c1-19-13-6-5-11(8-12(13)15)17-14(18)9-3-2-4-10(16)7-9/h2-8H,1H3,(H,17,18)
InChIKeyLJXJEXVXPIYSDG-UHFFFAOYSA-N
XLogP3.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-fluorobenzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-fluorobenzamide (CID 877308) is N-(3-chloro-4-methoxyphenyl)-3-fluorobenzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-fluorobenzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-fluorobenzamide is COc1ccc(NC(=O)c2cccc(F)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-fluorobenzamide?
The InChIKey is LJXJEXVXPIYSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c1-19-13-6-5-11(8-12(13)15)17-14(18)9-3-2-4-10(16)7-9/h2-8H,1H3,(H,17,18).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-fluorobenzamide?
N-(3-chloro-4-methoxyphenyl)-3-fluorobenzamide has a molecular weight of 279.70 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-fluorobenzamide is sourced from PubChem (CID 877308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).