N-[6-[2-[[2-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide

C19H17ClF3N5O2 — CID 69452059

IUPACN-[6-[2-[[2-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(CCNC(=O)Nc3cccc(C(F)(F)F)c3Cl)cc2[nH]1
InChIInChI=1S/C19H17ClF3N5O2/c1-10(29)25-17-26-13-6-5-11(9-15(13)27-17)7-8-24-18(30)28-14-4-2-3-12(16(14)20)19(21,22)23/h2-6,9H,7-8H2,1H3,(H2,24,28,30)(H2,25,26,27,29)
InChIKeyWUMBXCZJNAIXJL-UHFFFAOYSA-N
MW439.83 g/mol
LogP4.56
Rot. Bonds5

About N-[6-[2-[[2-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide

N-[6-[2-[[2-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide (PubChem CID 69452059) has the molecular formula C19H17ClF3N5O2 and a molecular weight of 439.83 g/mol. Its IUPAC name is N-[6-[2-[[2-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[2-[[2-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide
PubChem CID69452059
Molecular FormulaC19H17ClF3N5O2
Molecular Weight439.83 g/mol
Exact Mass439.10
IUPAC NameN-[6-[2-[[2-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(CCNC(=O)Nc3cccc(C(F)(F)F)c3Cl)cc2[nH]1
InChIInChI=1S/C19H17ClF3N5O2/c1-10(29)25-17-26-13-6-5-11(9-15(13)27-17)7-8-24-18(30)28-14-4-2-3-12(16(14)20)19(21,22)23/h2-6,9H,7-8H2,1H3,(H2,24,28,30)(H2,25,26,27,29)
InChIKeyWUMBXCZJNAIXJL-UHFFFAOYSA-N
XLogP4.56
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.83
LogP ≤ 54.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze N-[6-[2-[[2-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-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-[2-[[2-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide?
The IUPAC name of N-[6-[2-[[2-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide (CID 69452059) is N-[6-[2-[[2-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[2-[[2-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide?
The canonical SMILES for N-[6-[2-[[2-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(CCNC(=O)Nc3cccc(C(F)(F)F)c3Cl)cc2[nH]1.
What is the InChIKey of N-[6-[2-[[2-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide?
The InChIKey is WUMBXCZJNAIXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N5O2/c1-10(29)25-17-26-13-6-5-11(9-15(13)27-17)7-8-24-18(30)28-14-4-2-3-12(16(14)20)19(21,22)23/h2-6,9H,7-8H2,1H3,(H2,24,28,30)(H2,25,26,27,29).
What are the key properties of N-[6-[2-[[2-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide?
N-[6-[2-[[2-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide has a molecular weight of 439.83 g/mol, XLogP of 4.56, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[[2-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide is sourced from PubChem (CID 69452059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).