3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C26H20F3N3O2 — CID 54841601

IUPAC3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(CNc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)Nc1cccc2ccccc12
InChIInChI=1S/C26H20F3N3O2/c27-26(28,29)19-9-5-11-21(15-19)31-25(34)18-8-3-10-20(14-18)30-16-24(33)32-23-13-4-7-17-6-1-2-12-22(17)23/h1-15,30H,16H2,(H,31,34)(H,32,33)
InChIKeyDTPVJAJTXGGKQR-UHFFFAOYSA-N
MW463.46 g/mol
LogP6.16
Rot. Bonds6

About 3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 54841601) has the molecular formula C26H20F3N3O2 and a molecular weight of 463.46 g/mol. Its IUPAC name is 3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID54841601
Molecular FormulaC26H20F3N3O2
Molecular Weight463.46 g/mol
Exact Mass463.15
IUPAC Name3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(CNc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)Nc1cccc2ccccc12
InChIInChI=1S/C26H20F3N3O2/c27-26(28,29)19-9-5-11-21(15-19)31-25(34)18-8-3-10-20(14-18)30-16-24(33)32-23-13-4-7-17-6-1-2-12-22(17)23/h1-15,30H,16H2,(H,31,34)(H,32,33)
InChIKeyDTPVJAJTXGGKQR-UHFFFAOYSA-N
XLogP6.16
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.46
LogP ≤ 56.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]amino]benzamide
CID 54811786
3-[[2-(2-methoxyanilino)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54817220
3-[[2-(2,3-dimethylanilino)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54815970
3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844474
N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833776
3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844505
3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833567
3-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844347
3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844325
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833466
N-(2-cyanophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 26417253
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propylbenzamide
CID 54838617

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 54841601) is 3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(CNc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)Nc1cccc2ccccc12.
What is the InChIKey of 3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is DTPVJAJTXGGKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N3O2/c27-26(28,29)19-9-5-11-21(15-19)31-25(34)18-8-3-10-20(14-18)30-16-24(33)32-23-13-4-7-17-6-1-2-12-22(17)23/h1-15,30H,16H2,(H,31,34)(H,32,33).
What are the key properties of 3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 463.46 g/mol, XLogP of 6.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 54841601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).