N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-3-carboxamide

C13H13ClN2O2 — CID 110762736

IUPACN-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccn(C)c1
InChIInChI=1S/C13H13ClN2O2/c1-16-6-5-9(8-16)13(17)15-11-7-10(14)3-4-12(11)18-2/h3-8H,1-2H3,(H,15,17)
InChIKeyFTRUBOYYGYLERI-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.94
Rot. Bonds3

About N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-3-carboxamide

N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-3-carboxamide (PubChem CID 110762736) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-3-carboxamide
PubChem CID110762736
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccn(C)c1
InChIInChI=1S/C13H13ClN2O2/c1-16-6-5-9(8-16)13(17)15-11-7-10(14)3-4-12(11)18-2/h3-8H,1-2H3,(H,15,17)
InChIKeyFTRUBOYYGYLERI-UHFFFAOYSA-N
XLogP2.94
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide
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4-chloro-N-(5-chloro-2-methoxyphenyl)-3-iodobenzamide
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4-bromo-N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-2-carboxamide
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5,6-dichloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
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3-N,5-N-bis(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide
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4-(2-amino-2-oxoethoxy)-N-(5-chloro-2-methoxyphenyl)-3,5-dimethoxybenzamide
CID 17470265
4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
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2-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-3-carboxamide (CID 110762736) is N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-3-carboxamide is COc1ccc(Cl)cc1NC(=O)c1ccn(C)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-3-carboxamide?
The InChIKey is FTRUBOYYGYLERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-16-6-5-9(8-16)13(17)15-11-7-10(14)3-4-12(11)18-2/h3-8H,1-2H3,(H,15,17).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-3-carboxamide?
N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-3-carboxamide has a molecular weight of 264.71 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-3-carboxamide is sourced from PubChem (CID 110762736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).