2-chloro-N-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide

C23H17ClF3N3O3 — CID 24615496

IUPAC2-chloro-N-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C23H17ClF3N3O3/c24-19-10-2-1-9-18(19)22(33)28-13-20(31)29-16-7-3-5-14(11-16)21(32)30-17-8-4-6-15(12-17)23(25,26)27/h1-12H,13H2,(H,28,33)(H,29,31)(H,30,32)
InChIKeySBGPSELROWQWGR-UHFFFAOYSA-N
MW475.85 g/mol
LogP4.98
Rot. Bonds6

About 2-chloro-N-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide

2-chloro-N-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide (PubChem CID 24615496) has the molecular formula C23H17ClF3N3O3 and a molecular weight of 475.85 g/mol. Its IUPAC name is 2-chloro-N-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide
PubChem CID24615496
Molecular FormulaC23H17ClF3N3O3
Molecular Weight475.85 g/mol
Exact Mass475.09
IUPAC Name2-chloro-N-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C23H17ClF3N3O3/c24-19-10-2-1-9-18(19)22(33)28-13-20(31)29-16-7-3-5-14(11-16)21(32)30-17-8-4-6-15(12-17)23(25,26)27/h1-12H,13H2,(H,28,33)(H,29,31)(H,30,32)
InChIKeySBGPSELROWQWGR-UHFFFAOYSA-N
XLogP4.98
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.85
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
3-[[2-(2-chlorophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 18289509
4-chloro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide
CID 2992727
3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844505
2-[[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]amino]benzamide
CID 54811786
3-[[2-[(3-nitrobenzoyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 24626073
2-chloro-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 55659179
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
2,4-difluoro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide
CID 55529533
3-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2366241
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
3-[[2-(2-methoxyanilino)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54817220

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide (CID 24615496) is 2-chloro-N-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide is O=C(CNC(=O)c1ccccc1Cl)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-chloro-N-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide?
The InChIKey is SBGPSELROWQWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3N3O3/c24-19-10-2-1-9-18(19)22(33)28-13-20(31)29-16-7-3-5-14(11-16)21(32)30-17-8-4-6-15(12-17)23(25,26)27/h1-12H,13H2,(H,28,33)(H,29,31)(H,30,32).
What are the key properties of 2-chloro-N-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide?
2-chloro-N-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide has a molecular weight of 475.85 g/mol, XLogP of 4.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide is sourced from PubChem (CID 24615496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).