2-chloro-6-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide

C20H14ClFN4O — CID 34879780

IUPAC2-chloro-6-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
SMILESCc1c(-c2cccc(NC(=O)c3c(F)cccc3Cl)c2)nc2ncccn12
InChIInChI=1S/C20H14ClFN4O/c1-12-18(25-20-23-9-4-10-26(12)20)13-5-2-6-14(11-13)24-19(27)17-15(21)7-3-8-16(17)22/h2-11H,1H3,(H,24,27)
InChIKeyFBCGDBMHZDLQPY-UHFFFAOYSA-N
MW380.81 g/mol
LogP4.75
Rot. Bonds3

About 2-chloro-6-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide

2-chloro-6-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide (PubChem CID 34879780) has the molecular formula C20H14ClFN4O and a molecular weight of 380.81 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
PubChem CID34879780
Molecular FormulaC20H14ClFN4O
Molecular Weight380.81 g/mol
Exact Mass380.08
IUPAC Name2-chloro-6-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
SMILESCc1c(-c2cccc(NC(=O)c3c(F)cccc3Cl)c2)nc2ncccn12
InChIInChI=1S/C20H14ClFN4O/c1-12-18(25-20-23-9-4-10-26(12)20)13-5-2-6-14(11-13)24-19(27)17-15(21)7-3-8-16(17)22/h2-11H,1H3,(H,24,27)
InChIKeyFBCGDBMHZDLQPY-UHFFFAOYSA-N
XLogP4.75
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
CID 7080345
1-(2-fluorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
CID 121033218
3-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
CID 7080309
1-(3-fluorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
CID 121033214
4-tert-butyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
CID 7080310
N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]furan-2-carboxamide
CID 7080334
N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]cyclopropanecarboxamide
CID 121024151
N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]quinoxaline-2-carboxamide
CID 122285827
1-(3-chloro-4-methoxyphenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
CID 121033208
N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]cyclohexanecarboxamide
CID 7080306
3-(4-fluorophenyl)-1-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]pyrazole-5-carboxamide
CID 122285837
5-cyclopropyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 122285841

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide (CID 34879780) is 2-chloro-6-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide is Cc1c(-c2cccc(NC(=O)c3c(F)cccc3Cl)c2)nc2ncccn12.
What is the InChIKey of 2-chloro-6-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide?
The InChIKey is FBCGDBMHZDLQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O/c1-12-18(25-20-23-9-4-10-26(12)20)13-5-2-6-14(11-13)24-19(27)17-15(21)7-3-8-16(17)22/h2-11H,1H3,(H,24,27).
What are the key properties of 2-chloro-6-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide?
2-chloro-6-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide has a molecular weight of 380.81 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide is sourced from PubChem (CID 34879780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).