N-[2-[1-[4-(2,3-dichlorophenyl)phenyl]ethylamino]-4-methyl-3-pyridinyl]-3,3,3-trifluoropropanamide

C23H20Cl2F3N3O — CID 10050911

IUPACN-[2-[1-[4-(2,3-dichlorophenyl)phenyl]ethylamino]-4-methyl-3-pyridinyl]-3,3,3-trifluoropropanamide
SMILESCc1ccnc(NC(C)c2ccc(-c3cccc(Cl)c3Cl)cc2)c1NC(=O)CC(F)(F)F
InChIInChI=1S/C23H20Cl2F3N3O/c1-13-10-11-29-22(21(13)31-19(32)12-23(26,27)28)30-14(2)15-6-8-16(9-7-15)17-4-3-5-18(24)20(17)25/h3-11,14H,12H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyQOFOXDGUXHOQPB-UHFFFAOYSA-N
MW482.33 g/mol
LogP7.43
Rot. Bonds6

About N-[2-[1-[4-(2,3-dichlorophenyl)phenyl]ethylamino]-4-methyl-3-pyridinyl]-3,3,3-trifluoropropanamide

N-[2-[1-[4-(2,3-dichlorophenyl)phenyl]ethylamino]-4-methyl-3-pyridinyl]-3,3,3-trifluoropropanamide (PubChem CID 10050911) has the molecular formula C23H20Cl2F3N3O and a molecular weight of 482.33 g/mol. Its IUPAC name is N-[2-[1-[4-(2,3-dichlorophenyl)phenyl]ethylamino]-4-methyl-3-pyridinyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[2-[1-[4-(2,3-dichlorophenyl)phenyl]ethylamino]-4-methyl-3-pyridinyl]-3,3,3-trifluoropropanamide
PubChem CID10050911
Molecular FormulaC23H20Cl2F3N3O
Molecular Weight482.33 g/mol
Exact Mass481.09
IUPAC NameN-[2-[1-[4-(2,3-dichlorophenyl)phenyl]ethylamino]-4-methyl-3-pyridinyl]-3,3,3-trifluoropropanamide
SMILESCc1ccnc(NC(C)c2ccc(-c3cccc(Cl)c3Cl)cc2)c1NC(=O)CC(F)(F)F
InChIInChI=1S/C23H20Cl2F3N3O/c1-13-10-11-29-22(21(13)31-19(32)12-23(26,27)28)30-14(2)15-6-8-16(9-7-15)17-4-3-5-18(24)20(17)25/h3-11,14H,12H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyQOFOXDGUXHOQPB-UHFFFAOYSA-N
XLogP7.43
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.33
LogP ≤ 57.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[1-[4-(2,3-dichlorophenyl)phenyl]ethylamino]-4-methyl-3-pyridinyl]-3,3,3-trifluoropropanamide 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-chloro-2-[1-[4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethylamino]-3-pyridinyl]-3,3,3-trifluoropropanamide
CID 10075786
N-[2-[1-[4-(2-chloro-3-fluorophenyl)phenyl]ethylamino]-3-pyridinyl]-3,3,3-trifluoropropanamide
CID 10366575
N-[4-chloro-2-[[(1R)-1-[4-(2-cyano-3-fluorophenyl)phenyl]ethyl]amino]-3-pyridinyl]-2-cyanoacetamide
CID 11259064
3,3,3-trifluoro-N-[2-[1-[4-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]ethylamino]-3-pyridinyl]propanamide
CID 10480513
N-[2-[1-[4-(2-cyano-5-methylphenyl)phenyl]ethylamino]-4-methyl-3-pyridinyl]-2,2,3,3,3-pentafluoropropanamide
CID 10096994
N-[1-[4-(2,3-dichlorophenyl)phenyl]ethyl]propan-1-amine
CID 63423946
2-[4-[1-[[4-chloro-3-(2,2,3,3,3-pentafluoropropanoylamino)-2-pyridinyl]amino]ethyl]phenyl]-4-fluorobenzoic acid
CID 10324760
2,6-dichloro-N-[1-(4-methylphenyl)ethyl]aniline
CID 65467192
2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)aniline
CID 66251849
2-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylpyridin-3-amine
CID 65482956
N-(4-chloro-6-methylpyrimidin-5-yl)-3,3,3-trifluoropropanamide
CID 166776611
5-(2,3-dichlorophenyl)-2-methylpyridine
CID 173126972

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[4-(2,3-dichlorophenyl)phenyl]ethylamino]-4-methyl-3-pyridinyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[2-[1-[4-(2,3-dichlorophenyl)phenyl]ethylamino]-4-methyl-3-pyridinyl]-3,3,3-trifluoropropanamide (CID 10050911) is N-[2-[1-[4-(2,3-dichlorophenyl)phenyl]ethylamino]-4-methyl-3-pyridinyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[2-[1-[4-(2,3-dichlorophenyl)phenyl]ethylamino]-4-methyl-3-pyridinyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[2-[1-[4-(2,3-dichlorophenyl)phenyl]ethylamino]-4-methyl-3-pyridinyl]-3,3,3-trifluoropropanamide is Cc1ccnc(NC(C)c2ccc(-c3cccc(Cl)c3Cl)cc2)c1NC(=O)CC(F)(F)F.
What is the InChIKey of N-[2-[1-[4-(2,3-dichlorophenyl)phenyl]ethylamino]-4-methyl-3-pyridinyl]-3,3,3-trifluoropropanamide?
The InChIKey is QOFOXDGUXHOQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2F3N3O/c1-13-10-11-29-22(21(13)31-19(32)12-23(26,27)28)30-14(2)15-6-8-16(9-7-15)17-4-3-5-18(24)20(17)25/h3-11,14H,12H2,1-2H3,(H,29,30)(H,31,32).
What are the key properties of N-[2-[1-[4-(2,3-dichlorophenyl)phenyl]ethylamino]-4-methyl-3-pyridinyl]-3,3,3-trifluoropropanamide?
N-[2-[1-[4-(2,3-dichlorophenyl)phenyl]ethylamino]-4-methyl-3-pyridinyl]-3,3,3-trifluoropropanamide has a molecular weight of 482.33 g/mol, XLogP of 7.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[4-(2,3-dichlorophenyl)phenyl]ethylamino]-4-methyl-3-pyridinyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 10050911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).