2,4-difluoro-N-[5-fluoro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide

C21H13F6N3O2 — CID 121264564

IUPAC2,4-difluoro-N-[5-fluoro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C21H13F6N3O2/c22-12-4-6-15(16(24)9-12)19(31)29-18-10-13(23)5-7-17(18)30-20(32)28-14-3-1-2-11(8-14)21(25,26)27/h1-10H,(H,29,31)(H2,28,30,32)
InChIKeyDLZOYVDVYQVELR-UHFFFAOYSA-N
MW453.34 g/mol
LogP6.02
Rot. Bonds4

About 2,4-difluoro-N-[5-fluoro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide

2,4-difluoro-N-[5-fluoro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide (PubChem CID 121264564) has the molecular formula C21H13F6N3O2 and a molecular weight of 453.34 g/mol. Its IUPAC name is 2,4-difluoro-N-[5-fluoro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[5-fluoro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
PubChem CID121264564
Molecular FormulaC21H13F6N3O2
Molecular Weight453.34 g/mol
Exact Mass453.09
IUPAC Name2,4-difluoro-N-[5-fluoro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C21H13F6N3O2/c22-12-4-6-15(16(24)9-12)19(31)29-18-10-13(23)5-7-17(18)30-20(32)28-14-3-1-2-11(8-14)21(25,26)27/h1-10H,(H,29,31)(H2,28,30,32)
InChIKeyDLZOYVDVYQVELR-UHFFFAOYSA-N
XLogP6.02
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.34
LogP ≤ 56.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-N-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 121264509
2,4-difluoro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide
CID 55529533
4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26274156
3-fluoro-N-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyridine-4-carboxamide
CID 121264530
N-(2,4-difluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109129753
2,4-difluoro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 8896585
1-(2,4-difluorophenyl)-3-(3-iodophenyl)urea
CID 47103689
1-[3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea
CID 2305670
2,6-difluoro-N-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 121264507
4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
CID 10109069
5-fluoro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 34754187
4-cyano-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 833847

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[5-fluoro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[5-fluoro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide (CID 121264564) is 2,4-difluoro-N-[5-fluoro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[5-fluoro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[5-fluoro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1NC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[5-fluoro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide?
The InChIKey is DLZOYVDVYQVELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F6N3O2/c22-12-4-6-15(16(24)9-12)19(31)29-18-10-13(23)5-7-17(18)30-20(32)28-14-3-1-2-11(8-14)21(25,26)27/h1-10H,(H,29,31)(H2,28,30,32).
What are the key properties of 2,4-difluoro-N-[5-fluoro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide?
2,4-difluoro-N-[5-fluoro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide has a molecular weight of 453.34 g/mol, XLogP of 6.02, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[5-fluoro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide is sourced from PubChem (CID 121264564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).