N-(3-chloro-4-methoxyphenyl)-2-pyrrol-1-ylacetamide

C13H13ClN2O2 — CID 3236864

IUPACN-(3-chloro-4-methoxyphenyl)-2-pyrrol-1-ylacetamide
SMILESCOc1ccc(NC(=O)Cn2cccc2)cc1Cl
InChIInChI=1S/C13H13ClN2O2/c1-18-12-5-4-10(8-11(12)14)15-13(17)9-16-6-2-3-7-16/h2-8H,9H2,1H3,(H,15,17)
InChIKeyKWVJBMAUUREAQV-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.79
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-2-pyrrol-1-ylacetamide

N-(3-chloro-4-methoxyphenyl)-2-pyrrol-1-ylacetamide (PubChem CID 3236864) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-pyrrol-1-ylacetamide
PubChem CID3236864
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-pyrrol-1-ylacetamide
SMILESCOc1ccc(NC(=O)Cn2cccc2)cc1Cl
InChIInChI=1S/C13H13ClN2O2/c1-18-12-5-4-10(8-11(12)14)15-13(17)9-16-6-2-3-7-16/h2-8H,9H2,1H3,(H,15,17)
InChIKeyKWVJBMAUUREAQV-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-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 2442621
N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 2579010
N-(3-chloro-4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5055605
N-(5-chloro-2-methoxyphenyl)-2-(1H-pyrrol-1-yl)acetamide
CID 3239638
N-(4-methoxyphenyl)-3-(1H-pyrrol-1-yl)propanamide
CID 3245733
1-[(5-Chloro-2-methoxy-phenylcarbamoyl)-methyl]-pyridinium
CID 12532172
2-(1H-pyrrol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 3235904
(5E)-3-(3-chlorophenyl)-2-hydroxy-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-3,5-dihydro-4H-imidazol-4-one
CID 5913801
3-(3-Chloro-4-methoxyphenyl)-1-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 145973639
N-(5-chloro-2,4-dimethoxyphenyl)-2-(1H-pyrrol-1-yl)acetamide
CID 3238057
1-[(4-Ethoxy-phenylcarbamoyl)-methyl]-pyridinium
CID 11979290
N-(3-chloro-4-methoxyphenyl)pyridine-2-carbothioamide
CID 14510231

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-pyrrol-1-ylacetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-pyrrol-1-ylacetamide (CID 3236864) is N-(3-chloro-4-methoxyphenyl)-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-pyrrol-1-ylacetamide is COc1ccc(NC(=O)Cn2cccc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-pyrrol-1-ylacetamide?
The InChIKey is KWVJBMAUUREAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-18-12-5-4-10(8-11(12)14)15-13(17)9-16-6-2-3-7-16/h2-8H,9H2,1H3,(H,15,17).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-pyrrol-1-ylacetamide?
N-(3-chloro-4-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-(3-chloro-4-methoxyphenyl)-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 3236864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).