2-hydroxy-4-methoxy-N-(2-pyrrol-1-ylethyl)benzamide

C14H16N2O3 — CID 103722588

IUPAC2-hydroxy-4-methoxy-N-(2-pyrrol-1-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCn2cccc2)c(O)c1
InChIInChI=1S/C14H16N2O3/c1-19-11-4-5-12(13(17)10-11)14(18)15-6-9-16-7-2-3-8-16/h2-5,7-8,10,17H,6,9H2,1H3,(H,15,18)
InChIKeyNFSVIQRJGOBSHL-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.63
Rot. Bonds5

About 2-hydroxy-4-methoxy-N-(2-pyrrol-1-ylethyl)benzamide

2-hydroxy-4-methoxy-N-(2-pyrrol-1-ylethyl)benzamide (PubChem CID 103722588) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-N-(2-pyrrol-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-N-(2-pyrrol-1-ylethyl)benzamide
PubChem CID103722588
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-hydroxy-4-methoxy-N-(2-pyrrol-1-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCn2cccc2)c(O)c1
InChIInChI=1S/C14H16N2O3/c1-19-11-4-5-12(13(17)10-11)14(18)15-6-9-16-7-2-3-8-16/h2-5,7-8,10,17H,6,9H2,1H3,(H,15,18)
InChIKeyNFSVIQRJGOBSHL-UHFFFAOYSA-N
XLogP1.63
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-(2-pyrrol-1-ylethyl)naphthalene-2-carboxamide
CID 103722595
2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
CID 43090058
2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 43390117
2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 47415526
2-hydroxy-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83039381
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 49090761
2-hydroxy-4-methoxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 103604676
2-hydroxy-4-methoxy-N-(4-methylsulfanylbutyl)benzamide
CID 113238429
N-[2-(4-aminophenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 61220987
2-hydroxy-4-methoxy-N-(3-propoxypropyl)benzamide
CID 82943037
2-hydroxy-4-methoxy-N-(3-methylsulfanylbutyl)benzamide
CID 115604496
2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide
CID 114617408

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-N-(2-pyrrol-1-ylethyl)benzamide?
The IUPAC name of 2-hydroxy-4-methoxy-N-(2-pyrrol-1-ylethyl)benzamide (CID 103722588) is 2-hydroxy-4-methoxy-N-(2-pyrrol-1-ylethyl)benzamide.
What is the SMILES notation for 2-hydroxy-4-methoxy-N-(2-pyrrol-1-ylethyl)benzamide?
The canonical SMILES for 2-hydroxy-4-methoxy-N-(2-pyrrol-1-ylethyl)benzamide is COc1ccc(C(=O)NCCn2cccc2)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methoxy-N-(2-pyrrol-1-ylethyl)benzamide?
The InChIKey is NFSVIQRJGOBSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-19-11-4-5-12(13(17)10-11)14(18)15-6-9-16-7-2-3-8-16/h2-5,7-8,10,17H,6,9H2,1H3,(H,15,18).
What are the key properties of 2-hydroxy-4-methoxy-N-(2-pyrrol-1-ylethyl)benzamide?
2-hydroxy-4-methoxy-N-(2-pyrrol-1-ylethyl)benzamide has a molecular weight of 260.29 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-N-(2-pyrrol-1-ylethyl)benzamide is sourced from PubChem (CID 103722588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).