N-(5-chloropyrazin-2-yl)-4-propan-2-yloxybenzamide

C14H14ClN3O2 — CID 107595711

IUPACN-(5-chloropyrazin-2-yl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cnc(Cl)cn2)cc1
InChIInChI=1S/C14H14ClN3O2/c1-9(2)20-11-5-3-10(4-6-11)14(19)18-13-8-16-12(15)7-17-13/h3-9H,1-2H3,(H,17,18,19)
InChIKeySFRJEYCNNFJRKY-UHFFFAOYSA-N
MW291.74 g/mol
LogP3.17
Rot. Bonds4

About N-(5-chloropyrazin-2-yl)-4-propan-2-yloxybenzamide

N-(5-chloropyrazin-2-yl)-4-propan-2-yloxybenzamide (PubChem CID 107595711) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is N-(5-chloropyrazin-2-yl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(5-chloropyrazin-2-yl)-4-propan-2-yloxybenzamide
PubChem CID107595711
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC NameN-(5-chloropyrazin-2-yl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2cnc(Cl)cn2)cc1
InChIInChI=1S/C14H14ClN3O2/c1-9(2)20-11-5-3-10(4-6-11)14(19)18-13-8-16-12(15)7-17-13/h3-9H,1-2H3,(H,17,18,19)
InChIKeySFRJEYCNNFJRKY-UHFFFAOYSA-N
XLogP3.17
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-4-propan-2-yloxybenzamide
CID 33327699
N-(5-chloropyrazin-2-yl)-4-propan-2-ylbenzamide
CID 104964161
N-(5-phenyl-2-pyridinyl)-4-propan-2-yloxybenzamide
CID 24949251
6-hydrazinyl-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 62241267
N-(5-chloropyrazin-2-yl)-3-hydroxy-4-methylbenzamide
CID 107595708
N-(5-chloropyrazin-2-yl)-3-hydroxy-4-methoxybenzamide
CID 107595847
3,5-dichloro-N-(5-chloropyrazin-2-yl)benzamide
CID 104964163
N-(5-chloropyrazin-2-yl)-3-fluoro-4-methoxybenzamide
CID 104964229
5-(4-acetylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293861
3-chloro-N-(5-chloropyrazin-2-yl)-4-fluorobenzamide
CID 107595855
N-(5-chloropyrazin-2-yl)-3-methylbenzamide
CID 104964166
N-(3-chlorophenyl)-4-propan-2-yloxybenzamide
CID 823397

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrazin-2-yl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(5-chloropyrazin-2-yl)-4-propan-2-yloxybenzamide (CID 107595711) is N-(5-chloropyrazin-2-yl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(5-chloropyrazin-2-yl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(5-chloropyrazin-2-yl)-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)Nc2cnc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloropyrazin-2-yl)-4-propan-2-yloxybenzamide?
The InChIKey is SFRJEYCNNFJRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-9(2)20-11-5-3-10(4-6-11)14(19)18-13-8-16-12(15)7-17-13/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of N-(5-chloropyrazin-2-yl)-4-propan-2-yloxybenzamide?
N-(5-chloropyrazin-2-yl)-4-propan-2-yloxybenzamide has a molecular weight of 291.74 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrazin-2-yl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 107595711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).