3-methoxy-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide

C14H16N2O2 — CID 110789338

IUPAC3-methoxy-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCc2cc[nH]c2)c1
InChIInChI=1S/C14H16N2O2/c1-18-13-4-2-3-12(9-13)14(17)16-8-6-11-5-7-15-10-11/h2-5,7,9-10,15H,6,8H2,1H3,(H,16,17)
InChIKeyRKRSBOYTLJVJEQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.00
Rot. Bonds5

About 3-methoxy-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide

3-methoxy-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide (PubChem CID 110789338) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-methoxy-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide
PubChem CID110789338
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-methoxy-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCc2cc[nH]c2)c1
InChIInChI=1S/C14H16N2O2/c1-18-13-4-2-3-12(9-13)14(17)16-8-6-11-5-7-15-10-11/h2-5,7,9-10,15H,6,8H2,1H3,(H,16,17)
InChIKeyRKRSBOYTLJVJEQ-UHFFFAOYSA-N
XLogP2.00
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 155530519
3-methoxy-N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]benzamide
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3-methoxy-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide (CID 110789338) is 3-methoxy-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide is COc1cccc(C(=O)NCCc2cc[nH]c2)c1.
What is the InChIKey of 3-methoxy-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide?
The InChIKey is RKRSBOYTLJVJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-18-13-4-2-3-12(9-13)14(17)16-8-6-11-5-7-15-10-11/h2-5,7,9-10,15H,6,8H2,1H3,(H,16,17).
What are the key properties of 3-methoxy-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide?
3-methoxy-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide has a molecular weight of 244.29 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide is sourced from PubChem (CID 110789338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).