N-[1-[2-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide

C25H22Cl2F2N4O — CID 134308292

IUPACN-[1-[2-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide
SMILESCCC(F)(F)c1ccc(CC(=O)Nc2ccc3c(c2)nnn3CCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C25H22Cl2F2N4O/c1-2-25(28,29)18-6-3-16(4-7-18)13-24(34)30-20-9-10-23-22(15-20)31-32-33(23)12-11-17-5-8-19(26)14-21(17)27/h3-10,14-15H,2,11-13H2,1H3,(H,30,34)
InChIKeyWZOYMPVTOQAKAY-UHFFFAOYSA-N
MW503.38 g/mol
LogP6.66
Rot. Bonds8

About N-[1-[2-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide

N-[1-[2-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide (PubChem CID 134308292) has the molecular formula C25H22Cl2F2N4O and a molecular weight of 503.38 g/mol. Its IUPAC name is N-[1-[2-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide
PubChem CID134308292
Molecular FormulaC25H22Cl2F2N4O
Molecular Weight503.38 g/mol
Exact Mass502.11
IUPAC NameN-[1-[2-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide
SMILESCCC(F)(F)c1ccc(CC(=O)Nc2ccc3c(c2)nnn3CCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C25H22Cl2F2N4O/c1-2-25(28,29)18-6-3-16(4-7-18)13-24(34)30-20-9-10-23-22(15-20)31-32-33(23)12-11-17-5-8-19(26)14-21(17)27/h3-10,14-15H,2,11-13H2,1H3,(H,30,34)
InChIKeyWZOYMPVTOQAKAY-UHFFFAOYSA-N
XLogP6.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.38
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide 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-[2-(5-chloro-1-ethylbenzimidazol-2-yl)propan-2-yloxy]-3-fluorophenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide
CID 126720320
2-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]-N-[1-[2-(2,5-difluorophenyl)-2-methylpropyl]benzotriazol-5-yl]acetamide
CID 154004178
N-[4-[4-(2,4-dichlorophenyl)oxan-4-yl]oxyphenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide
CID 126720308
N-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7914224
N-[4-[3-(2-chlorophenyl)pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide
CID 126530751
N-[4-[3-[[(1S)-1-(4-chlorophenyl)ethyl]-methylamino]pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide
CID 130297341
N-(3-chlorophenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051706
3-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-ethylphenyl)propanamide
CID 109033457
3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 100605483
2-(3-chlorophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 110779237
N-[4-[3-[1-(2-chloro-4-fluorophenyl)ethylamino]pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide
CID 130297546
1-amino-3-(1-methylbenzotriazol-5-yl)urea
CID 126153811

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide?
The IUPAC name of N-[1-[2-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide (CID 134308292) is N-[1-[2-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide.
What is the SMILES notation for N-[1-[2-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide?
The canonical SMILES for N-[1-[2-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide is CCC(F)(F)c1ccc(CC(=O)Nc2ccc3c(c2)nnn3CCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[1-[2-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide?
The InChIKey is WZOYMPVTOQAKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2F2N4O/c1-2-25(28,29)18-6-3-16(4-7-18)13-24(34)30-20-9-10-23-22(15-20)31-32-33(23)12-11-17-5-8-19(26)14-21(17)27/h3-10,14-15H,2,11-13H2,1H3,(H,30,34).
What are the key properties of N-[1-[2-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide?
N-[1-[2-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide has a molecular weight of 503.38 g/mol, XLogP of 6.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,4-dichlorophenyl)ethyl]benzotriazol-5-yl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide is sourced from PubChem (CID 134308292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).