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4-chloro-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide

C13H13ClN2O2 — CID 47285016

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-chloro-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCN(Cc1ccc(O)cc1)C(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C13H13ClN2O2/c1-16(8-9-2-4-11(17)5-3-9)13(18)12-6-10(14)7-15-12/h2-7,15,17H,8H2,1H3
InChIKeyIAAMVSFHMJGCEV-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.65
Rot. Bonds3

About 4-chloro-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide

4-chloro-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 47285016) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 4-chloro-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID47285016
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name4-chloro-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCN(Cc1ccc(O)cc1)C(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C13H13ClN2O2/c1-16(8-9-2-4-11(17)5-3-9)13(18)12-6-10(14)7-15-12/h2-7,15,17H,8H2,1H3
InChIKeyIAAMVSFHMJGCEV-UHFFFAOYSA-N
XLogP2.65
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide (CID 47285016) is 4-chloro-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide is CN(Cc1ccc(O)cc1)C(=O)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is IAAMVSFHMJGCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-16(8-9-2-4-11(17)5-3-9)13(18)12-6-10(14)7-15-12/h2-7,15,17H,8H2,1H3.
What are the key properties of 4-chloro-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide?
4-chloro-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 264.71 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47285016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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