3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C23H19ClF3N3O2 — CID 54844505

IUPAC3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(CNc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)NCc1ccccc1Cl
InChIInChI=1S/C23H19ClF3N3O2/c24-20-10-2-1-5-16(20)13-29-21(31)14-28-18-8-3-6-15(11-18)22(32)30-19-9-4-7-17(12-19)23(25,26)27/h1-12,28H,13-14H2,(H,29,31)(H,30,32)
InChIKeyVVCMOSYIGWNRNO-UHFFFAOYSA-N
MW461.87 g/mol
LogP5.34
Rot. Bonds7

About 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 54844505) has the molecular formula C23H19ClF3N3O2 and a molecular weight of 461.87 g/mol. Its IUPAC name is 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID54844505
Molecular FormulaC23H19ClF3N3O2
Molecular Weight461.87 g/mol
Exact Mass461.11
IUPAC Name3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(CNc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)NCc1ccccc1Cl
InChIInChI=1S/C23H19ClF3N3O2/c24-20-10-2-1-5-16(20)13-29-21(31)14-28-18-8-3-6-15(11-18)22(32)30-19-9-4-7-17(12-19)23(25,26)27/h1-12,28H,13-14H2,(H,29,31)(H,30,32)
InChIKeyVVCMOSYIGWNRNO-UHFFFAOYSA-N
XLogP5.34
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.87
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2-chlorophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 18289509
2-chloro-N-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide
CID 24615496
3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54841601
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838983
3-[3-(2-chlorophenyl)propanoylcarbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26168311
3-[(2-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109021574
N-[3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54835394
3-[[2-[4-(2-methylpropanoylamino)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54833107
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834815
N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833776

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 54844505) is 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(CNc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)NCc1ccccc1Cl.
What is the InChIKey of 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is VVCMOSYIGWNRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3N3O2/c24-20-10-2-1-5-16(20)13-29-21(31)14-28-18-8-3-6-15(11-18)22(32)30-19-9-4-7-17(12-19)23(25,26)27/h1-12,28H,13-14H2,(H,29,31)(H,30,32).
What are the key properties of 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 461.87 g/mol, XLogP of 5.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 54844505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).