N-(5-chloro-2-methoxyphenyl)-2-pyrrol-1-ylacetamide

C13H13ClN2O2 — CID 3239638

IUPACN-(5-chloro-2-methoxyphenyl)-2-pyrrol-1-ylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1cccc1
InChIInChI=1S/C13H13ClN2O2/c1-18-12-5-4-10(14)8-11(12)15-13(17)9-16-6-2-3-7-16/h2-8H,9H2,1H3,(H,15,17)
InChIKeySIYHDYPCPWPMFP-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.79
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-2-pyrrol-1-ylacetamide

N-(5-chloro-2-methoxyphenyl)-2-pyrrol-1-ylacetamide (PubChem CID 3239638) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-pyrrol-1-ylacetamide
PubChem CID3239638
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-pyrrol-1-ylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1cccc1
InChIInChI=1S/C13H13ClN2O2/c1-18-12-5-4-10(14)8-11(12)15-13(17)9-16-6-2-3-7-16/h2-8H,9H2,1H3,(H,15,17)
InChIKeySIYHDYPCPWPMFP-UHFFFAOYSA-N
XLogP2.79
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)pyrazine-2-carboxamide
CID 862098
1-(5-Chloro-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 970515
1-[(5-Chloro-2-methoxy-phenylcarbamoyl)-methyl]-3-methyl-pyridinium
CID 24761067
2-(4-chlorophenoxy)-2-methyl-N-(pyridin-3-yl)propanamide
CID 888389
N-(3-chloro-4-methoxyphenyl)-2-pyrrol-1-ylacetamide
CID 3236864
N-(2,5-dimethoxyphenyl)-2-pyrrol-1-ylacetamide
CID 3244489
N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-4,5-dihydrothiazole-4-carboxamide
CID 3591778
1-(5-Chloro-2-methoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 4384086
1-[(2-Methoxy-phenylcarbamoyl)-methyl]-2-methyl-pyridinium
CID 24746951
1-[(5-Chloro-2-methoxy-phenylcarbamoyl)-methyl]-pyridinium
CID 12532172
N-(5-chloro-2-methoxyphenyl)-N'-(pyridin-4-ylmethyl)ethanediamide
CID 2217964
N-(2,4-dimethoxyphenyl)-2-(1H-pyrrol-1-yl)acetamide
CID 3235897

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-pyrrol-1-ylacetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-pyrrol-1-ylacetamide (CID 3239638) is N-(5-chloro-2-methoxyphenyl)-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-pyrrol-1-ylacetamide is COc1ccc(Cl)cc1NC(=O)Cn1cccc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-pyrrol-1-ylacetamide?
The InChIKey is SIYHDYPCPWPMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-18-12-5-4-10(14)8-11(12)15-13(17)9-16-6-2-3-7-16/h2-8H,9H2,1H3,(H,15,17).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-pyrrol-1-ylacetamide?
N-(5-chloro-2-methoxyphenyl)-2-pyrrol-1-ylacetamide has a molecular weight of 264.71 g/mol, XLogP of 2.79, 4 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)-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 3239638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).