4-acetyl-N-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide

C16H17ClN2O3 — CID 867009

IUPAC4-acetyl-N-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C
InChIInChI=1S/C16H17ClN2O3/c1-8-14(10(3)20)9(2)18-15(8)16(21)19-12-7-11(17)5-6-13(12)22-4/h5-7,18H,1-4H3,(H,19,21)
InChIKeyXNXUMWKCXGLMBD-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.75
Rot. Bonds4

About 4-acetyl-N-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 867009) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 4-acetyl-N-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID867009
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name4-acetyl-N-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C
InChIInChI=1S/C16H17ClN2O3/c1-8-14(10(3)20)9(2)18-15(8)16(21)19-12-7-11(17)5-6-13(12)22-4/h5-7,18H,1-4H3,(H,19,21)
InChIKeyXNXUMWKCXGLMBD-UHFFFAOYSA-N
XLogP3.75
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-(4-ethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866998
4-acetyl-N-(3-chloro-4-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 867011
4-acetyl-N-(2-methoxy-5-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 867014
4-acetyl-N-(5-tert-butyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 2086522
4-acetyl-N-(2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 2115839
4-acetyl-N-(3-chloro-4-methoxyphenyl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 3236044
4-acetyl-3-ethyl-N-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrrole-2-carboxamide
CID 3236655
4-acetyl-N-(2,5-diethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3236746
4-acetyl-N-[4-(2-chlorophenoxy)phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 18205520
4-acetyl-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-3,5-dimethyl-1H-pyrrole-2-carbohydrazide
CID 24982704
4-acetyl-3-ethyl-N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-methoxyphenyl]-5-methyl-1H-pyrrole-2-carboxamide
CID 166626060
4-acetyl-N-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866988

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 867009) is 4-acetyl-N-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is COc1ccc(Cl)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C.
What is the InChIKey of 4-acetyl-N-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is XNXUMWKCXGLMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-8-14(10(3)20)9(2)18-15(8)16(21)19-12-7-11(17)5-6-13(12)22-4/h5-7,18H,1-4H3,(H,19,21).
What are the key properties of 4-acetyl-N-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 320.78 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(5-chloro-2-methoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 867009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).