N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide

C23H17F4N5O3 — CID 10141033

IUPACN-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)cc2[nH]1
InChIInChI=1S/C23H17F4N5O3/c1-12(33)28-21-30-18-9-7-16(11-20(18)31-21)35-15-5-3-14(4-6-15)29-22(34)32-19-10-13(23(25,26)27)2-8-17(19)24/h2-11H,1H3,(H2,29,32,34)(H2,28,30,31,33)
InChIKeyPSQQJYVAJZSKPM-UHFFFAOYSA-N
MW487.41 g/mol
LogP6.12
Rot. Bonds5

About N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide

N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide (PubChem CID 10141033) has the molecular formula C23H17F4N5O3 and a molecular weight of 487.41 g/mol. Its IUPAC name is N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide
PubChem CID10141033
Molecular FormulaC23H17F4N5O3
Molecular Weight487.41 g/mol
Exact Mass487.13
IUPAC NameN-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)cc2[nH]1
InChIInChI=1S/C23H17F4N5O3/c1-12(33)28-21-30-18-9-7-16(11-20(18)31-21)35-15-5-3-14(4-6-15)29-22(34)32-19-10-13(23(25,26)27)2-8-17(19)24/h2-11H,1H3,(H2,29,32,34)(H2,28,30,31,33)
InChIKeyPSQQJYVAJZSKPM-UHFFFAOYSA-N
XLogP6.12
TPSA108.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.41
LogP ≤ 56.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide?
The IUPAC name of N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide (CID 10141033) is N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide?
The canonical SMILES for N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)cc2[nH]1.
What is the InChIKey of N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide?
The InChIKey is PSQQJYVAJZSKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4N5O3/c1-12(33)28-21-30-18-9-7-16(11-20(18)31-21)35-15-5-3-14(4-6-15)29-22(34)32-19-10-13(23(25,26)27)2-8-17(19)24/h2-11H,1H3,(H2,29,32,34)(H2,28,30,31,33).
What are the key properties of N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide?
N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide has a molecular weight of 487.41 g/mol, XLogP of 6.12, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide is sourced from PubChem (CID 10141033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).