N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide

C18H14ClF3N4O2 — CID 7998571

IUPACN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1cn2ccccc2n1
InChIInChI=1S/C18H14ClF3N4O2/c1-25(17(28)14-9-26-7-3-2-4-15(26)24-14)10-16(27)23-11-5-6-13(19)12(8-11)18(20,21)22/h2-9H,10H2,1H3,(H,23,27)
InChIKeyOZWDNPXUMZJDAW-UHFFFAOYSA-N
MW410.78 g/mol
LogP3.72
Rot. Bonds4

About N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide

N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 7998571) has the molecular formula C18H14ClF3N4O2 and a molecular weight of 410.78 g/mol. Its IUPAC name is N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID7998571
Molecular FormulaC18H14ClF3N4O2
Molecular Weight410.78 g/mol
Exact Mass410.08
IUPAC NameN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1cn2ccccc2n1
InChIInChI=1S/C18H14ClF3N4O2/c1-25(17(28)14-9-26-7-3-2-4-15(26)24-14)10-16(27)23-11-5-6-13(19)12(8-11)18(20,21)22/h2-9H,10H2,1H3,(H,23,27)
InChIKeyOZWDNPXUMZJDAW-UHFFFAOYSA-N
XLogP3.72
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.78
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 7998571) is N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide is CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1cn2ccccc2n1.
What is the InChIKey of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is OZWDNPXUMZJDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N4O2/c1-25(17(28)14-9-26-7-3-2-4-15(26)24-14)10-16(27)23-11-5-6-13(19)12(8-11)18(20,21)22/h2-9H,10H2,1H3,(H,23,27).
What are the key properties of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 410.78 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 7998571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).