2-[4-[(5-chloropyrazine-2-carbonyl)amino]phenoxy]acetic acid

C13H10ClN3O4 — CID 107371543

IUPAC2-[4-[(5-chloropyrazine-2-carbonyl)amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)c2cnc(Cl)cn2)cc1
InChIInChI=1S/C13H10ClN3O4/c14-11-6-15-10(5-16-11)13(20)17-8-1-3-9(4-2-8)21-7-12(18)19/h1-6H,7H2,(H,17,20)(H,18,19)
InChIKeyWLMBCHDEDZWFPJ-UHFFFAOYSA-N
MW307.69 g/mol
LogP1.85
Rot. Bonds5

About 2-[4-[(5-chloropyrazine-2-carbonyl)amino]phenoxy]acetic acid

2-[4-[(5-chloropyrazine-2-carbonyl)amino]phenoxy]acetic acid (PubChem CID 107371543) has the molecular formula C13H10ClN3O4 and a molecular weight of 307.69 g/mol. Its IUPAC name is 2-[4-[(5-chloropyrazine-2-carbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-chloropyrazine-2-carbonyl)amino]phenoxy]acetic acid
PubChem CID107371543
Molecular FormulaC13H10ClN3O4
Molecular Weight307.69 g/mol
Exact Mass307.04
IUPAC Name2-[4-[(5-chloropyrazine-2-carbonyl)amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)c2cnc(Cl)cn2)cc1
InChIInChI=1S/C13H10ClN3O4/c14-11-6-15-10(5-16-11)13(20)17-8-1-3-9(4-2-8)21-7-12(18)19/h1-6H,7H2,(H,17,20)(H,18,19)
InChIKeyWLMBCHDEDZWFPJ-UHFFFAOYSA-N
XLogP1.85
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(carbamoylamino)phenyl]-5-chloropyrazine-2-carboxamide
CID 103817085
2-[4-(1,2-oxazole-3-carbonylamino)phenoxy]acetic acid
CID 63745197
5-[(5-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 107371641
2-(4-benzamidophenoxy)acetic acid
CID 3830392
2-[4-[(5-chlorofuran-2-carbonyl)amino]phenoxy]acetic acid
CID 62033918
2-chloro-5-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
CID 107371455
N-(4-butylphenyl)-5-chloropyrazine-2-carboxamide
CID 103803190
2-[4-(1,3-thiazole-5-carbonylamino)phenoxy]acetic acid
CID 114030968
2-[4-(propan-2-yloxycarbonylamino)phenoxy]acetic acid
CID 63772697
2-chloro-4-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
CID 107371486
2-[4-(phenylcarbamoyl)phenoxy]acetic acid
CID 28762607
2-[[6-(methylcarbamoyl)-3-pyridinyl]oxy]acetic acid
CID 119086981

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloropyrazine-2-carbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(5-chloropyrazine-2-carbonyl)amino]phenoxy]acetic acid (CID 107371543) is 2-[4-[(5-chloropyrazine-2-carbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(5-chloropyrazine-2-carbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(5-chloropyrazine-2-carbonyl)amino]phenoxy]acetic acid is O=C(O)COc1ccc(NC(=O)c2cnc(Cl)cn2)cc1.
What is the InChIKey of 2-[4-[(5-chloropyrazine-2-carbonyl)amino]phenoxy]acetic acid?
The InChIKey is WLMBCHDEDZWFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O4/c14-11-6-15-10(5-16-11)13(20)17-8-1-3-9(4-2-8)21-7-12(18)19/h1-6H,7H2,(H,17,20)(H,18,19).
What are the key properties of 2-[4-[(5-chloropyrazine-2-carbonyl)amino]phenoxy]acetic acid?
2-[4-[(5-chloropyrazine-2-carbonyl)amino]phenoxy]acetic acid has a molecular weight of 307.69 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloropyrazine-2-carbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 107371543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).