N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide

C16H14ClFN2O2 — CID 2224194

IUPACN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C16H14ClFN2O2/c1-10-12(17)6-4-8-14(10)20-15(21)9-19-16(22)11-5-2-3-7-13(11)18/h2-8H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyNXYXFWPAWIMCPX-UHFFFAOYSA-N
MW320.75 g/mol
LogP3.16
Rot. Bonds4

About N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide

N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide (PubChem CID 2224194) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide
PubChem CID2224194
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC NameN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C16H14ClFN2O2/c1-10-12(17)6-4-8-14(10)20-15(21)9-19-16(22)11-5-2-3-7-13(11)18/h2-8H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyNXYXFWPAWIMCPX-UHFFFAOYSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide (CID 2224194) is N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide is Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccccc1F.
What is the InChIKey of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is NXYXFWPAWIMCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c1-10-12(17)6-4-8-14(10)20-15(21)9-19-16(22)11-5-2-3-7-13(11)18/h2-8H,9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide?
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 320.75 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 2224194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).