N-(5-chloropyrazin-2-yl)-3-propoxybenzamide

C14H14ClN3O2 — CID 107595713

IUPACN-(5-chloropyrazin-2-yl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2cnc(Cl)cn2)c1
InChIInChI=1S/C14H14ClN3O2/c1-2-6-20-11-5-3-4-10(7-11)14(19)18-13-9-16-12(15)8-17-13/h3-5,7-9H,2,6H2,1H3,(H,17,18,19)
InChIKeyIVOWBCSNCAKZCO-UHFFFAOYSA-N
MW291.74 g/mol
LogP3.17
Rot. Bonds5

About N-(5-chloropyrazin-2-yl)-3-propoxybenzamide

N-(5-chloropyrazin-2-yl)-3-propoxybenzamide (PubChem CID 107595713) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is N-(5-chloropyrazin-2-yl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(5-chloropyrazin-2-yl)-3-propoxybenzamide
PubChem CID107595713
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC NameN-(5-chloropyrazin-2-yl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2cnc(Cl)cn2)c1
InChIInChI=1S/C14H14ClN3O2/c1-2-6-20-11-5-3-4-10(7-11)14(19)18-13-9-16-12(15)8-17-13/h3-5,7-9H,2,6H2,1H3,(H,17,18,19)
InChIKeyIVOWBCSNCAKZCO-UHFFFAOYSA-N
XLogP3.17
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-chloropyrazin-2-yl)-3-methylbenzamide
CID 104964166
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
N-(5-chloropyrazin-2-yl)-3-(3-methylphenoxy)propanamide
CID 107595790
N-(4-methyl-1H-pyrazol-5-yl)-3-propoxybenzamide
CID 112691324
N-(2-chloro-4-hydroxyphenyl)-3-propoxybenzamide
CID 64789293
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4960561
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide
CID 4960108
N-(4-anilinophenyl)-3-propoxybenzamide
CID 4960017

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrazin-2-yl)-3-propoxybenzamide?
The IUPAC name of N-(5-chloropyrazin-2-yl)-3-propoxybenzamide (CID 107595713) is N-(5-chloropyrazin-2-yl)-3-propoxybenzamide.
What is the SMILES notation for N-(5-chloropyrazin-2-yl)-3-propoxybenzamide?
The canonical SMILES for N-(5-chloropyrazin-2-yl)-3-propoxybenzamide is CCCOc1cccc(C(=O)Nc2cnc(Cl)cn2)c1.
What is the InChIKey of N-(5-chloropyrazin-2-yl)-3-propoxybenzamide?
The InChIKey is IVOWBCSNCAKZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-2-6-20-11-5-3-4-10(7-11)14(19)18-13-9-16-12(15)8-17-13/h3-5,7-9H,2,6H2,1H3,(H,17,18,19).
What are the key properties of N-(5-chloropyrazin-2-yl)-3-propoxybenzamide?
N-(5-chloropyrazin-2-yl)-3-propoxybenzamide has a molecular weight of 291.74 g/mol, XLogP of 3.17, 5 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)-3-propoxybenzamide is sourced from PubChem (CID 107595713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).