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

C13H13ClN2O2 — CID 47285016

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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Related Compounds

CID 1489228
CID 1489228
CID 73212661
CID 73212661
CID 1489232
CID 1489232
CID 1234046
CID 1234046
CID 73212660
CID 73212660
CID 61018045
CID 61018045
CID 11651603
CID 11651603
CID 17512500
CID 17512500
CID 31941676
CID 31941676
CID 52947598
CID 52947598
CID 52948748
CID 52948748
CID 52948992
CID 52948992

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).