2-chloro-N-[[3-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]carbamoyl]benzamide

C17H11Cl2F3N2O2 — CID 154220951

IUPAC2-chloro-N-[[3-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1cccc(C=C(Cl)C(F)(F)F)c1
InChIInChI=1S/C17H11Cl2F3N2O2/c18-13-7-2-1-6-12(13)15(25)24-16(26)23-11-5-3-4-10(8-11)9-14(19)17(20,21)22/h1-9H,(H2,23,24,25,26)
InChIKeyXGRHTGSHGFHGMJ-UHFFFAOYSA-N
MW403.19 g/mol
LogP5.44
Rot. Bonds3

About 2-chloro-N-[[3-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]carbamoyl]benzamide

2-chloro-N-[[3-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]carbamoyl]benzamide (PubChem CID 154220951) has the molecular formula C17H11Cl2F3N2O2 and a molecular weight of 403.19 g/mol. Its IUPAC name is 2-chloro-N-[[3-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[3-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]carbamoyl]benzamide
PubChem CID154220951
Molecular FormulaC17H11Cl2F3N2O2
Molecular Weight403.19 g/mol
Exact Mass402.01
IUPAC Name2-chloro-N-[[3-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1cccc(C=C(Cl)C(F)(F)F)c1
InChIInChI=1S/C17H11Cl2F3N2O2/c18-13-7-2-1-6-12(13)15(25)24-16(26)23-11-5-3-4-10(8-11)9-14(19)17(20,21)22/h1-9H,(H2,23,24,25,26)
InChIKeyXGRHTGSHGFHGMJ-UHFFFAOYSA-N
XLogP5.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.19
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-[[3-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]carbamoyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[3-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]carbamoyl]benzamide (CID 154220951) is 2-chloro-N-[[3-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[3-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[3-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]carbamoyl]benzamide is O=C(NC(=O)c1ccccc1Cl)Nc1cccc(C=C(Cl)C(F)(F)F)c1.
What is the InChIKey of 2-chloro-N-[[3-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]carbamoyl]benzamide?
The InChIKey is XGRHTGSHGFHGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F3N2O2/c18-13-7-2-1-6-12(13)15(25)24-16(26)23-11-5-3-4-10(8-11)9-14(19)17(20,21)22/h1-9H,(H2,23,24,25,26).
What are the key properties of 2-chloro-N-[[3-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]carbamoyl]benzamide?
2-chloro-N-[[3-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]carbamoyl]benzamide has a molecular weight of 403.19 g/mol, XLogP of 5.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]carbamoyl]benzamide is sourced from PubChem (CID 154220951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).