2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide

C17H14ClF3N2O2 — CID 2440982

IUPAC2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14ClF3N2O2/c18-14-7-2-1-6-13(14)16(25)22-9-8-15(24)23-12-5-3-4-11(10-12)17(19,20)21/h1-7,10H,8-9H2,(H,22,25)(H,23,24)
InChIKeyFPNBCYGCSFSCJS-UHFFFAOYSA-N
MW370.76 g/mol
LogP4.12
Rot. Bonds5

About 2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide

2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide (PubChem CID 2440982) has the molecular formula C17H14ClF3N2O2 and a molecular weight of 370.76 g/mol. Its IUPAC name is 2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide
PubChem CID2440982
Molecular FormulaC17H14ClF3N2O2
Molecular Weight370.76 g/mol
Exact Mass370.07
IUPAC Name2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14ClF3N2O2/c18-14-7-2-1-6-13(14)16(25)22-9-8-15(24)23-12-5-3-4-11(10-12)17(19,20)21/h1-7,10H,8-9H2,(H,22,25)(H,23,24)
InChIKeyFPNBCYGCSFSCJS-UHFFFAOYSA-N
XLogP4.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.76
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide?
The IUPAC name of 2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide (CID 2440982) is 2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide is O=C(CCNC(=O)c1ccccc1Cl)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide?
The InChIKey is FPNBCYGCSFSCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O2/c18-14-7-2-1-6-13(14)16(25)22-9-8-15(24)23-12-5-3-4-11(10-12)17(19,20)21/h1-7,10H,8-9H2,(H,22,25)(H,23,24).
What are the key properties of 2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide?
2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide has a molecular weight of 370.76 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide is sourced from PubChem (CID 2440982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).