3-chloro-2,2-dimethyl-N-[3-[3-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propyl]propanamide

C23H24ClF6N3O2 — CID 42701910

IUPAC3-chloro-2,2-dimethyl-N-[3-[3-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propyl]propanamide
SMILESCC(C)(CCl)C(=O)NCCCN(C(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H24ClF6N3O2/c1-21(2,14-24)19(34)31-10-5-11-33(18-9-4-7-16(13-18)23(28,29)30)20(35)32-17-8-3-6-15(12-17)22(25,26)27/h3-4,6-9,12-13H,5,10-11,14H2,1-2H3,(H,31,34)(H,32,35)
InChIKeyHGJOXKSNJZXPME-UHFFFAOYSA-N
MW523.91 g/mol
LogP6.53
Rot. Bonds8

About 3-chloro-2,2-dimethyl-N-[3-[3-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propyl]propanamide

3-chloro-2,2-dimethyl-N-[3-[3-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propyl]propanamide (PubChem CID 42701910) has the molecular formula C23H24ClF6N3O2 and a molecular weight of 523.91 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-[3-[3-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propyl]propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-[3-[3-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propyl]propanamide
PubChem CID42701910
Molecular FormulaC23H24ClF6N3O2
Molecular Weight523.91 g/mol
Exact Mass523.15
IUPAC Name3-chloro-2,2-dimethyl-N-[3-[3-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propyl]propanamide
SMILESCC(C)(CCl)C(=O)NCCCN(C(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H24ClF6N3O2/c1-21(2,14-24)19(34)31-10-5-11-33(18-9-4-7-16(13-18)23(28,29)30)20(35)32-17-8-3-6-15(12-17)22(25,26)27/h3-4,6-9,12-13H,5,10-11,14H2,1-2H3,(H,31,34)(H,32,35)
InChIKeyHGJOXKSNJZXPME-UHFFFAOYSA-N
XLogP6.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.91
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-chloro-2,2-dimethyl-N-[3-[3-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propyl]propanamide 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

3-(3-methylphenyl)-1-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea
CID 3505137
4-chloro-N-[3-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propyl]benzamide
CID 42701967
3-(4-chlorophenyl)-1-[3-[(4-methoxyphenyl)carbamoylamino]propyl]-1-[3-(trifluoromethyl)phenyl]urea
CID 42702313
2-chloro-N-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]acetamide
CID 3891258
N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108960617
3-(3-chlorophenyl)-1-[3-[(2,5-dichlorophenyl)sulfonylamino]propyl]-1-[3-(trifluoromethyl)phenyl]urea
CID 42657196
3-(2-methoxyphenyl)-1-phenyl-1-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea
CID 42705271
2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 669889
1-ethyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea
CID 3346401
3-(3-methylphenyl)-1-phenyl-1-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]propyl]urea
CID 3505139
3-(2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-1-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 42705762
4-chloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide
CID 42702821

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-[3-[3-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propyl]propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-[3-[3-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propyl]propanamide (CID 42701910) is 3-chloro-2,2-dimethyl-N-[3-[3-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propyl]propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-[3-[3-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propyl]propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-[3-[3-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propyl]propanamide is CC(C)(CCl)C(=O)NCCCN(C(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-[3-[3-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propyl]propanamide?
The InChIKey is HGJOXKSNJZXPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF6N3O2/c1-21(2,14-24)19(34)31-10-5-11-33(18-9-4-7-16(13-18)23(28,29)30)20(35)32-17-8-3-6-15(12-17)22(25,26)27/h3-4,6-9,12-13H,5,10-11,14H2,1-2H3,(H,31,34)(H,32,35).
What are the key properties of 3-chloro-2,2-dimethyl-N-[3-[3-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propyl]propanamide?
3-chloro-2,2-dimethyl-N-[3-[3-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propyl]propanamide has a molecular weight of 523.91 g/mol, XLogP of 6.53, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-[3-[3-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propyl]propanamide is sourced from PubChem (CID 42701910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).