2-(4-chloro-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid

C14H13ClN2O3 — CID 60826824

IUPAC2-(4-chloro-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid
SMILESCn1cccc1C(=O)N(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O3/c1-16-8-2-3-12(16)14(20)17(9-13(18)19)11-6-4-10(15)5-7-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyLBVDXXCJAQQNLO-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.41
Rot. Bonds4

About 2-(4-chloro-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid

2-(4-chloro-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid (PubChem CID 60826824) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 2-(4-chloro-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid
PubChem CID60826824
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name2-(4-chloro-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid
SMILESCn1cccc1C(=O)N(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O3/c1-16-8-2-3-12(16)14(20)17(9-13(18)19)11-6-4-10(15)5-7-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyLBVDXXCJAQQNLO-UHFFFAOYSA-N
XLogP2.41
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid?
The IUPAC name of 2-(4-chloro-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid (CID 60826824) is 2-(4-chloro-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid.
What is the SMILES notation for 2-(4-chloro-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid?
The canonical SMILES for 2-(4-chloro-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid is Cn1cccc1C(=O)N(CC(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloro-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid?
The InChIKey is LBVDXXCJAQQNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-16-8-2-3-12(16)14(20)17(9-13(18)19)11-6-4-10(15)5-7-11/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2-(4-chloro-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid?
2-(4-chloro-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid has a molecular weight of 292.72 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid is sourced from PubChem (CID 60826824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).