4-chloro-N-[1-[methyl(3,3,3-trifluoropropyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide

C20H20ClF3N2O2 — CID 56549123

IUPAC4-chloro-N-[1-[methyl(3,3,3-trifluoropropyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCN(CCC(F)(F)F)C(=O)C(Cc1ccccc1)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClF3N2O2/c1-26(12-11-20(22,23)24)19(28)17(13-14-5-3-2-4-6-14)25-18(27)15-7-9-16(21)10-8-15/h2-10,17H,11-13H2,1H3,(H,25,27)
InChIKeyDJCNHMPXELBTCB-UHFFFAOYSA-N
MW412.84 g/mol
LogP4.09
Rot. Bonds7

About 4-chloro-N-[1-[methyl(3,3,3-trifluoropropyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide

4-chloro-N-[1-[methyl(3,3,3-trifluoropropyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 56549123) has the molecular formula C20H20ClF3N2O2 and a molecular weight of 412.84 g/mol. Its IUPAC name is 4-chloro-N-[1-[methyl(3,3,3-trifluoropropyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[methyl(3,3,3-trifluoropropyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID56549123
Molecular FormulaC20H20ClF3N2O2
Molecular Weight412.84 g/mol
Exact Mass412.12
IUPAC Name4-chloro-N-[1-[methyl(3,3,3-trifluoropropyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCN(CCC(F)(F)F)C(=O)C(Cc1ccccc1)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClF3N2O2/c1-26(12-11-20(22,23)24)19(28)17(13-14-5-3-2-4-6-14)25-18(27)15-7-9-16(21)10-8-15/h2-10,17H,11-13H2,1H3,(H,25,27)
InChIKeyDJCNHMPXELBTCB-UHFFFAOYSA-N
XLogP4.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.84
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[methyl(3,3,3-trifluoropropyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-[methyl(3,3,3-trifluoropropyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 56549123) is 4-chloro-N-[1-[methyl(3,3,3-trifluoropropyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[methyl(3,3,3-trifluoropropyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[methyl(3,3,3-trifluoropropyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide is CN(CCC(F)(F)F)C(=O)C(Cc1ccccc1)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-[methyl(3,3,3-trifluoropropyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is DJCNHMPXELBTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N2O2/c1-26(12-11-20(22,23)24)19(28)17(13-14-5-3-2-4-6-14)25-18(27)15-7-9-16(21)10-8-15/h2-10,17H,11-13H2,1H3,(H,25,27).
What are the key properties of 4-chloro-N-[1-[methyl(3,3,3-trifluoropropyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
4-chloro-N-[1-[methyl(3,3,3-trifluoropropyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 412.84 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[methyl(3,3,3-trifluoropropyl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 56549123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).