2,4-difluoro-N-[4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-oxobutyl]benzamide

C20H20F2N4O2 — CID 32834586

IUPAC2,4-difluoro-N-[4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(F)cc1F)NCCc1cn2ccccc2n1
InChIInChI=1S/C20H20F2N4O2/c21-14-6-7-16(17(22)12-14)20(28)24-9-3-5-19(27)23-10-8-15-13-26-11-2-1-4-18(26)25-15/h1-2,4,6-7,11-13H,3,5,8-10H2,(H,23,27)(H,24,28)
InChIKeyKXPZIHNNXITBRG-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.48
Rot. Bonds8

About 2,4-difluoro-N-[4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-oxobutyl]benzamide

2,4-difluoro-N-[4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-oxobutyl]benzamide (PubChem CID 32834586) has the molecular formula C20H20F2N4O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-oxobutyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-oxobutyl]benzamide
PubChem CID32834586
Molecular FormulaC20H20F2N4O2
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC Name2,4-difluoro-N-[4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(F)cc1F)NCCc1cn2ccccc2n1
InChIInChI=1S/C20H20F2N4O2/c21-14-6-7-16(17(22)12-14)20(28)24-9-3-5-19(27)23-10-8-15-13-26-11-2-1-4-18(26)25-15/h1-2,4,6-7,11-13H,3,5,8-10H2,(H,23,27)(H,24,28)
InChIKeyKXPZIHNNXITBRG-UHFFFAOYSA-N
XLogP2.48
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methoxybenzamide
CID 32837177
5-chloro-2-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25430229
4-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25429046
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-phenoxybutanamide
CID 31008224
2,4-difluoro-N-[4-oxo-4-[2-(1-phenylpyrazol-4-yl)ethylamino]butyl]benzamide
CID 134000738
N-[2-(2,6-difluorophenyl)ethyl]-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 87006920
3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-5-methylsulfanylbenzamide
CID 37275406
N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 29414441
2-benzoyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25430937
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-nitrobenzamide
CID 25429006
2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide
CID 78803699

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-oxobutyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-oxobutyl]benzamide (CID 32834586) is 2,4-difluoro-N-[4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-oxobutyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-oxobutyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-oxobutyl]benzamide is O=C(CCCNC(=O)c1ccc(F)cc1F)NCCc1cn2ccccc2n1.
What is the InChIKey of 2,4-difluoro-N-[4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-oxobutyl]benzamide?
The InChIKey is KXPZIHNNXITBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2/c21-14-6-7-16(17(22)12-14)20(28)24-9-3-5-19(27)23-10-8-15-13-26-11-2-1-4-18(26)25-15/h1-2,4,6-7,11-13H,3,5,8-10H2,(H,23,27)(H,24,28).
What are the key properties of 2,4-difluoro-N-[4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-oxobutyl]benzamide?
2,4-difluoro-N-[4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-oxobutyl]benzamide has a molecular weight of 386.40 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-oxobutyl]benzamide is sourced from PubChem (CID 32834586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).