1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydropyrrole-2-carboxamide

C18H12Cl2F6N4O — CID 89152139

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydropyrrole-2-carboxamide
SMILESO=C(NCc1ncc(C(F)(F)F)cc1Cl)C1CC=CN1c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C18H12Cl2F6N4O/c19-11-4-9(17(21,22)23)6-27-13(11)8-29-16(31)14-2-1-3-30(14)15-12(20)5-10(7-28-15)18(24,25)26/h1,3-7,14H,2,8H2,(H,29,31)
InChIKeyKDJQRNWYEYQXED-UHFFFAOYSA-N
MW485.22 g/mol
LogP5.23
Rot. Bonds4

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydropyrrole-2-carboxamide

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydropyrrole-2-carboxamide (PubChem CID 89152139) has the molecular formula C18H12Cl2F6N4O and a molecular weight of 485.22 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydropyrrole-2-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydropyrrole-2-carboxamide
PubChem CID89152139
Molecular FormulaC18H12Cl2F6N4O
Molecular Weight485.22 g/mol
Exact Mass484.03
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydropyrrole-2-carboxamide
SMILESO=C(NCc1ncc(C(F)(F)F)cc1Cl)C1CC=CN1c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C18H12Cl2F6N4O/c19-11-4-9(17(21,22)23)6-27-13(11)8-29-16(31)14-2-1-3-30(14)15-12(20)5-10(7-28-15)18(24,25)26/h1,3-7,14H,2,8H2,(H,29,31)
InChIKeyKDJQRNWYEYQXED-UHFFFAOYSA-N
XLogP5.23
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.22
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydropyrrole-2-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

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]-2,3-dihydropyrrole-2-carboxamide
CID 70973021
N-[(2-aminophenyl)methyl]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydropyrrole-2-carboxamide
CID 89152181
1-acetyl-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 110208637
2-(4-chlorophenyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]acetamide
CID 110208650
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-4-carboxamide
CID 66989884
1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]urea
CID 2745367
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-3-phenylurea
CID 2745366
N-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9041027
2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide
CID 22027356
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylacetamide
CID 1491758
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-3-(3,5-dichlorophenyl)thiourea
CID 84820031
2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylpyridine-3-carboxamide
CID 22027361

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydropyrrole-2-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydropyrrole-2-carboxamide (CID 89152139) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydropyrrole-2-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydropyrrole-2-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydropyrrole-2-carboxamide is O=C(NCc1ncc(C(F)(F)F)cc1Cl)C1CC=CN1c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydropyrrole-2-carboxamide?
The InChIKey is KDJQRNWYEYQXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2F6N4O/c19-11-4-9(17(21,22)23)6-27-13(11)8-29-16(31)14-2-1-3-30(14)15-12(20)5-10(7-28-15)18(24,25)26/h1,3-7,14H,2,8H2,(H,29,31).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydropyrrole-2-carboxamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydropyrrole-2-carboxamide has a molecular weight of 485.22 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydropyrrole-2-carboxamide is sourced from PubChem (CID 89152139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).