N-(3-chloro-4-fluorophenyl)-2-(3-methoxyphenyl)acetamide

C15H13ClFNO2 — CID 2683174

IUPACN-(3-chloro-4-fluorophenyl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H13ClFNO2/c1-20-12-4-2-3-10(7-12)8-15(19)18-11-5-6-14(17)13(16)9-11/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyPBUDGJOTHJUBRB-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.67
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-(3-methoxyphenyl)acetamide

N-(3-chloro-4-fluorophenyl)-2-(3-methoxyphenyl)acetamide (PubChem CID 2683174) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(3-methoxyphenyl)acetamide
PubChem CID2683174
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H13ClFNO2/c1-20-12-4-2-3-10(7-12)8-15(19)18-11-5-6-14(17)13(16)9-11/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyPBUDGJOTHJUBRB-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.67
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-fluorophenyl)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(3-methoxyphenyl)acetamide (CID 2683174) is N-(3-chloro-4-fluorophenyl)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(3-methoxyphenyl)acetamide?
The InChIKey is PBUDGJOTHJUBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-20-12-4-2-3-10(7-12)8-15(19)18-11-5-6-14(17)13(16)9-11/h2-7,9H,8H2,1H3,(H,18,19).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(3-methoxyphenyl)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(3-methoxyphenyl)acetamide has a molecular weight of 293.73 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 2683174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).