1-benzyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide

C21H23N3O — CID 113223648

IUPAC1-benzyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
SMILESCCNCc1cccc(NC(=O)c2cccn2Cc2ccccc2)c1
InChIInChI=1S/C21H23N3O/c1-2-22-15-18-10-6-11-19(14-18)23-21(25)20-12-7-13-24(20)16-17-8-4-3-5-9-17/h3-14,22H,2,15-16H2,1H3,(H,23,25)
InChIKeyLDYZMQUNIMCASP-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.90
Rot. Bonds7

About 1-benzyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide

1-benzyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide (PubChem CID 113223648) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-benzyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
PubChem CID113223648
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1-benzyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
SMILESCCNCc1cccc(NC(=O)c2cccn2Cc2ccccc2)c1
InChIInChI=1S/C21H23N3O/c1-2-22-15-18-10-6-11-19(14-18)23-21(25)20-12-7-13-24(20)16-17-8-4-3-5-9-17/h3-14,22H,2,15-16H2,1H3,(H,23,25)
InChIKeyLDYZMQUNIMCASP-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-(3-acetamidophenyl)-1-benzylpyrrole-2-carboxamide
CID 134022751
1-benzyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
CID 113223649
1-benzyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrole-2-carboxamide
CID 134028017
4-bromo-1-ethyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
CID 43639639
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
3-ethyl-N-[3-(ethylaminomethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 66121147
1-benzyl-N-methoxypyrrole-2-carboxamide
CID 52568041
N-[3-(ethylaminomethyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 119438262
2-bromo-N-[3-(ethylaminomethyl)phenyl]-3-methylbenzamide
CID 107983060
N-[3-(aminomethyl)phenyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114610220
N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylbutanamide
CID 55102725
1-benzyl-N-methylsulfonylpyrrole-2-carboxamide
CID 146154244

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide?
The IUPAC name of 1-benzyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide (CID 113223648) is 1-benzyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide is CCNCc1cccc(NC(=O)c2cccn2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide?
The InChIKey is LDYZMQUNIMCASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-2-22-15-18-10-6-11-19(14-18)23-21(25)20-12-7-13-24(20)16-17-8-4-3-5-9-17/h3-14,22H,2,15-16H2,1H3,(H,23,25).
What are the key properties of 1-benzyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide?
1-benzyl-N-[3-(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-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 113223648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).