1-benzyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide

C21H23N3O — CID 113223649

IUPAC1-benzyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
SMILESCCNCc1ccccc1NC(=O)c1cccn1Cc1ccccc1
InChIInChI=1S/C21H23N3O/c1-2-22-15-18-11-6-7-12-19(18)23-21(25)20-13-8-14-24(20)16-17-9-4-3-5-10-17/h3-14,22H,2,15-16H2,1H3,(H,23,25)
InChIKeyDPYIBAYILVSNJR-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.90
Rot. Bonds7

About 1-benzyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide

1-benzyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide (PubChem CID 113223649) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-benzyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
PubChem CID113223649
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1-benzyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
SMILESCCNCc1ccccc1NC(=O)c1cccn1Cc1ccccc1
InChIInChI=1S/C21H23N3O/c1-2-22-15-18-11-6-7-12-19(18)23-21(25)20-13-8-14-24(20)16-17-9-4-3-5-10-17/h3-14,22H,2,15-16H2,1H3,(H,23,25)
InChIKeyDPYIBAYILVSNJR-UHFFFAOYSA-N
XLogP3.90
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 43601475
1-benzyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
CID 113223648
N-(3-acetamidophenyl)-1-benzylpyrrole-2-carboxamide
CID 134022751
1-benzyl-N-methoxypyrrole-2-carboxamide
CID 52568041
N-[2-(ethylaminomethyl)phenyl]-2-hydroxy-2-phenylacetamide
CID 43809215
1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83029854
4-bromo-1-ethyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide;hydrochloride
CID 119438837
1-benzyl-N-methylsulfonylpyrrole-2-carboxamide
CID 146154244
1-benzyl-N-(5-chloropyrazin-2-yl)pyrrole-2-carboxamide
CID 130175298
3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 43601335
1-benzyl-N-(1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide
CID 52575128
N-[2-(ethylaminomethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107973168

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide (CID 113223649) is 1-benzyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide is CCNCc1ccccc1NC(=O)c1cccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide?
The InChIKey is DPYIBAYILVSNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-2-22-15-18-11-6-7-12-19(18)23-21(25)20-13-8-14-24(20)16-17-9-4-3-5-10-17/h3-14,22H,2,15-16H2,1H3,(H,23,25).
What are the key properties of 1-benzyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide?
1-benzyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 113223649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).