3-(4-chlorophenoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cinnoline-4-carboxamide

C24H17ClF3N3O2 — CID 162357806

IUPAC3-(4-chlorophenoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cinnoline-4-carboxamide
SMILESC[C@H](NC(=O)c1c(Oc2ccc(Cl)cc2)nnc2ccccc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H17ClF3N3O2/c1-14(15-5-4-6-16(13-15)24(26,27)28)29-22(32)21-19-7-2-3-8-20(19)30-31-23(21)33-18-11-9-17(25)10-12-18/h2-14H,1H3,(H,29,32)/t14-/m0/s1
InChIKeyVYVKIQOBMGBOMK-AWEZNQCLSA-N
MW471.87 g/mol
LogP6.59
Rot. Bonds5

About 3-(4-chlorophenoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cinnoline-4-carboxamide

3-(4-chlorophenoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cinnoline-4-carboxamide (PubChem CID 162357806) has the molecular formula C24H17ClF3N3O2 and a molecular weight of 471.87 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cinnoline-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cinnoline-4-carboxamide
PubChem CID162357806
Molecular FormulaC24H17ClF3N3O2
Molecular Weight471.87 g/mol
Exact Mass471.10
IUPAC Name3-(4-chlorophenoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cinnoline-4-carboxamide
SMILESC[C@H](NC(=O)c1c(Oc2ccc(Cl)cc2)nnc2ccccc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H17ClF3N3O2/c1-14(15-5-4-6-16(13-15)24(26,27)28)29-22(32)21-19-7-2-3-8-20(19)30-31-23(21)33-18-11-9-17(25)10-12-18/h2-14H,1H3,(H,29,32)/t14-/m0/s1
InChIKeyVYVKIQOBMGBOMK-AWEZNQCLSA-N
XLogP6.59
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.87
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cinnoline-4-carboxamide 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

5-chloro-2-fluoro-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 25444134
N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]cinnoline-4-carboxamide
CID 162357565
2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 78778446
4-(2-amino-2-oxoethoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 41188273
2-(2-chlorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 42907102
3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17458520
3,5-dimethyl-1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 112763965
1-benzyl-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 27533694
4-(tetrazol-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 41144986
6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 42936491
N-[1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 123680885
2-(4-ethoxyphenyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26010093

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cinnoline-4-carboxamide?
The IUPAC name of 3-(4-chlorophenoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cinnoline-4-carboxamide (CID 162357806) is 3-(4-chlorophenoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cinnoline-4-carboxamide.
What is the SMILES notation for 3-(4-chlorophenoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cinnoline-4-carboxamide?
The canonical SMILES for 3-(4-chlorophenoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cinnoline-4-carboxamide is C[C@H](NC(=O)c1c(Oc2ccc(Cl)cc2)nnc2ccccc12)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(4-chlorophenoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cinnoline-4-carboxamide?
The InChIKey is VYVKIQOBMGBOMK-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H17ClF3N3O2/c1-14(15-5-4-6-16(13-15)24(26,27)28)29-22(32)21-19-7-2-3-8-20(19)30-31-23(21)33-18-11-9-17(25)10-12-18/h2-14H,1H3,(H,29,32)/t14-/m0/s1.
What are the key properties of 3-(4-chlorophenoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cinnoline-4-carboxamide?
3-(4-chlorophenoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cinnoline-4-carboxamide has a molecular weight of 471.87 g/mol, XLogP of 6.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cinnoline-4-carboxamide is sourced from PubChem (CID 162357806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).