4-acetamido-5-chloro-2-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide

C17H14ClF3N2O3 — CID 2988289

IUPAC4-acetamido-5-chloro-2-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESCOc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H14ClF3N2O3/c1-9(24)22-14-8-15(26-2)10(7-12(14)18)16(25)23-13-6-4-3-5-11(13)17(19,20)21/h3-8H,1-2H3,(H,22,24)(H,23,25)
InChIKeyQDNPJIUOFDUDPQ-UHFFFAOYSA-N
MW386.76 g/mol
LogP4.58
Rot. Bonds4

About 4-acetamido-5-chloro-2-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide

4-acetamido-5-chloro-2-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 2988289) has the molecular formula C17H14ClF3N2O3 and a molecular weight of 386.76 g/mol. Its IUPAC name is 4-acetamido-5-chloro-2-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-acetamido-5-chloro-2-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID2988289
Molecular FormulaC17H14ClF3N2O3
Molecular Weight386.76 g/mol
Exact Mass386.06
IUPAC Name4-acetamido-5-chloro-2-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESCOc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H14ClF3N2O3/c1-9(24)22-14-8-15(26-2)10(7-12(14)18)16(25)23-13-6-4-3-5-11(13)17(19,20)21/h3-8H,1-2H3,(H,22,24)(H,23,25)
InChIKeyQDNPJIUOFDUDPQ-UHFFFAOYSA-N
XLogP4.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.76
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-5-chloro-2-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-acetamido-5-chloro-2-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide (CID 2988289) is 4-acetamido-5-chloro-2-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-acetamido-5-chloro-2-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-acetamido-5-chloro-2-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide is COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 4-acetamido-5-chloro-2-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is QDNPJIUOFDUDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O3/c1-9(24)22-14-8-15(26-2)10(7-12(14)18)16(25)23-13-6-4-3-5-11(13)17(19,20)21/h3-8H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 4-acetamido-5-chloro-2-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide?
4-acetamido-5-chloro-2-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 386.76 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-5-chloro-2-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 2988289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).