N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide

C22H15F6N3O2 — CID 2359720

IUPACN-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
SMILESO=C(Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H15F6N3O2/c23-21(24,25)14-5-2-8-17(11-14)29-19(32)13-4-1-7-16(10-13)30-20(33)31-18-9-3-6-15(12-18)22(26,27)28/h1-12H,(H,29,32)(H2,30,31,33)
InChIKeyQKJFBUFEEKTEFV-UHFFFAOYSA-N
MW467.37 g/mol
LogP6.62
Rot. Bonds4

About N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide

N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide (PubChem CID 2359720) has the molecular formula C22H15F6N3O2 and a molecular weight of 467.37 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
PubChem CID2359720
Molecular FormulaC22H15F6N3O2
Molecular Weight467.37 g/mol
Exact Mass467.11
IUPAC NameN-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
SMILESO=C(Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H15F6N3O2/c23-21(24,25)14-5-2-8-17(11-14)29-19(32)13-4-1-7-16(10-13)30-20(33)31-18-9-3-6-15(12-18)22(26,27)28/h1-12H,(H,29,32)(H2,30,31,33)
InChIKeyQKJFBUFEEKTEFV-UHFFFAOYSA-N
XLogP6.62
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.37
LogP ≤ 56.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]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

N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 162568619
2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 26289494
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2319650
2,3-dioxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1,4-dihydroquinoxaline-6-carboxamide
CID 23474550
3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3978789
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide (CID 2359720) is N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide is O=C(Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
The InChIKey is QKJFBUFEEKTEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F6N3O2/c23-21(24,25)14-5-2-8-17(11-14)29-19(32)13-4-1-7-16(10-13)30-20(33)31-18-9-3-6-15(12-18)22(26,27)28/h1-12H,(H,29,32)(H2,30,31,33).
What are the key properties of N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide?
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide has a molecular weight of 467.37 g/mol, XLogP of 6.62, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide is sourced from PubChem (CID 2359720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).