3-[2-(2,3-dichlorophenoxy)propanoylamino]-N-pyrazin-2-ylbenzamide

C20H16Cl2N4O3 — CID 47090619

IUPAC3-[2-(2,3-dichlorophenoxy)propanoylamino]-N-pyrazin-2-ylbenzamide
SMILESCC(Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc(C(=O)Nc2cnccn2)c1
InChIInChI=1S/C20H16Cl2N4O3/c1-12(29-16-7-3-6-15(21)18(16)22)19(27)25-14-5-2-4-13(10-14)20(28)26-17-11-23-8-9-24-17/h2-12H,1H3,(H,25,27)(H,24,26,28)
InChIKeyRLRDPJIOLQNDSW-UHFFFAOYSA-N
MW431.28 g/mol
LogP4.44
Rot. Bonds6

About 3-[2-(2,3-dichlorophenoxy)propanoylamino]-N-pyrazin-2-ylbenzamide

3-[2-(2,3-dichlorophenoxy)propanoylamino]-N-pyrazin-2-ylbenzamide (PubChem CID 47090619) has the molecular formula C20H16Cl2N4O3 and a molecular weight of 431.28 g/mol. Its IUPAC name is 3-[2-(2,3-dichlorophenoxy)propanoylamino]-N-pyrazin-2-ylbenzamide.

Molecular Properties

Compound Name3-[2-(2,3-dichlorophenoxy)propanoylamino]-N-pyrazin-2-ylbenzamide
PubChem CID47090619
Molecular FormulaC20H16Cl2N4O3
Molecular Weight431.28 g/mol
Exact Mass430.06
IUPAC Name3-[2-(2,3-dichlorophenoxy)propanoylamino]-N-pyrazin-2-ylbenzamide
SMILESCC(Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc(C(=O)Nc2cnccn2)c1
InChIInChI=1S/C20H16Cl2N4O3/c1-12(29-16-7-3-6-15(21)18(16)22)19(27)25-14-5-2-4-13(10-14)20(28)26-17-11-23-8-9-24-17/h2-12H,1H3,(H,25,27)(H,24,26,28)
InChIKeyRLRDPJIOLQNDSW-UHFFFAOYSA-N
XLogP4.44
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.28
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
CID 118259670
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dichlorophenoxy)propanamide
CID 43078117
(2R)-2-(2,3-dichlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 7787703
(2R)-2-(2,3-dichlorophenoxy)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide
CID 52523221
(2S)-2-(2,3-dichlorophenoxy)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide
CID 52523220
2-(2,3-dichlorophenoxy)-N-quinolin-3-ylpropanamide
CID 46453335
2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 42990450
2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 17154741
2-(2,3-dichlorophenoxy)-N-(4-fluorophenyl)propanamide
CID 42990420
(2S)-2-(2,3-dichlorophenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 27233794
3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 17197387
(2R)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylpropanamide
CID 42561688

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dichlorophenoxy)propanoylamino]-N-pyrazin-2-ylbenzamide?
The IUPAC name of 3-[2-(2,3-dichlorophenoxy)propanoylamino]-N-pyrazin-2-ylbenzamide (CID 47090619) is 3-[2-(2,3-dichlorophenoxy)propanoylamino]-N-pyrazin-2-ylbenzamide.
What is the SMILES notation for 3-[2-(2,3-dichlorophenoxy)propanoylamino]-N-pyrazin-2-ylbenzamide?
The canonical SMILES for 3-[2-(2,3-dichlorophenoxy)propanoylamino]-N-pyrazin-2-ylbenzamide is CC(Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc(C(=O)Nc2cnccn2)c1.
What is the InChIKey of 3-[2-(2,3-dichlorophenoxy)propanoylamino]-N-pyrazin-2-ylbenzamide?
The InChIKey is RLRDPJIOLQNDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O3/c1-12(29-16-7-3-6-15(21)18(16)22)19(27)25-14-5-2-4-13(10-14)20(28)26-17-11-23-8-9-24-17/h2-12H,1H3,(H,25,27)(H,24,26,28).
What are the key properties of 3-[2-(2,3-dichlorophenoxy)propanoylamino]-N-pyrazin-2-ylbenzamide?
3-[2-(2,3-dichlorophenoxy)propanoylamino]-N-pyrazin-2-ylbenzamide has a molecular weight of 431.28 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dichlorophenoxy)propanoylamino]-N-pyrazin-2-ylbenzamide is sourced from PubChem (CID 47090619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).