4-chloro-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]benzamide

C18H16ClF3N2O2 — CID 18277234

IUPAC4-chloro-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16ClF3N2O2/c19-15-6-4-13(5-7-15)17(26)23-9-8-16(25)24-11-12-2-1-3-14(10-12)18(20,21)22/h1-7,10H,8-9,11H2,(H,23,26)(H,24,25)
InChIKeyBWYGUVKLQFCEDT-UHFFFAOYSA-N
MW384.79 g/mol
LogP3.80
Rot. Bonds6

About 4-chloro-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]benzamide

4-chloro-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]benzamide (PubChem CID 18277234) has the molecular formula C18H16ClF3N2O2 and a molecular weight of 384.79 g/mol. Its IUPAC name is 4-chloro-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]benzamide
PubChem CID18277234
Molecular FormulaC18H16ClF3N2O2
Molecular Weight384.79 g/mol
Exact Mass384.09
IUPAC Name4-chloro-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16ClF3N2O2/c19-15-6-4-13(5-7-15)17(26)23-9-8-16(25)24-11-12-2-1-3-14(10-12)18(20,21)22/h1-7,10H,8-9,11H2,(H,23,26)(H,24,25)
InChIKeyBWYGUVKLQFCEDT-UHFFFAOYSA-N
XLogP3.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.79
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]benzamide?
The IUPAC name of 4-chloro-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]benzamide (CID 18277234) is 4-chloro-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]benzamide is O=C(CCNC(=O)c1ccc(Cl)cc1)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]benzamide?
The InChIKey is BWYGUVKLQFCEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O2/c19-15-6-4-13(5-7-15)17(26)23-9-8-16(25)24-11-12-2-1-3-14(10-12)18(20,21)22/h1-7,10H,8-9,11H2,(H,23,26)(H,24,25).
What are the key properties of 4-chloro-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]benzamide?
4-chloro-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]benzamide has a molecular weight of 384.79 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]benzamide is sourced from PubChem (CID 18277234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).