4-(2-aminoethyl)-N-pyrrol-1-ylbenzamide

C13H15N3O — CID 79100239

IUPAC4-(2-aminoethyl)-N-pyrrol-1-ylbenzamide
SMILESNCCc1ccc(C(=O)Nn2cccc2)cc1
InChIInChI=1S/C13H15N3O/c14-8-7-11-3-5-12(6-4-11)13(17)15-16-9-1-2-10-16/h1-6,9-10H,7-8,14H2,(H,15,17)
InChIKeyMSCNUMMTLJLOLV-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.37
Rot. Bonds4

About 4-(2-aminoethyl)-N-pyrrol-1-ylbenzamide

4-(2-aminoethyl)-N-pyrrol-1-ylbenzamide (PubChem CID 79100239) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-pyrrol-1-ylbenzamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-pyrrol-1-ylbenzamide
PubChem CID79100239
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-(2-aminoethyl)-N-pyrrol-1-ylbenzamide
SMILESNCCc1ccc(C(=O)Nn2cccc2)cc1
InChIInChI=1S/C13H15N3O/c14-8-7-11-3-5-12(6-4-11)13(17)15-16-9-1-2-10-16/h1-6,9-10H,7-8,14H2,(H,15,17)
InChIKeyMSCNUMMTLJLOLV-UHFFFAOYSA-N
XLogP1.37
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(2-aminoethyl)-N-cyanobenzamide
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[4-(2-aminoethyl)phenyl]-phenylmethanone
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4-(2-aminoethyl)benzamide;hydrochloride
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4-(2-aminoethyl)-N-(3-methylpentan-3-yl)benzamide
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4-(2-aminoethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
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4-(2-aminoethyl)benzoic acid;hydron;chloride
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4-(2-aminoethyl)-N-but-3-yn-2-ylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-pyrrol-1-ylbenzamide?
The IUPAC name of 4-(2-aminoethyl)-N-pyrrol-1-ylbenzamide (CID 79100239) is 4-(2-aminoethyl)-N-pyrrol-1-ylbenzamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-pyrrol-1-ylbenzamide?
The canonical SMILES for 4-(2-aminoethyl)-N-pyrrol-1-ylbenzamide is NCCc1ccc(C(=O)Nn2cccc2)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-pyrrol-1-ylbenzamide?
The InChIKey is MSCNUMMTLJLOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-8-7-11-3-5-12(6-4-11)13(17)15-16-9-1-2-10-16/h1-6,9-10H,7-8,14H2,(H,15,17).
What are the key properties of 4-(2-aminoethyl)-N-pyrrol-1-ylbenzamide?
4-(2-aminoethyl)-N-pyrrol-1-ylbenzamide has a molecular weight of 229.28 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-pyrrol-1-ylbenzamide is sourced from PubChem (CID 79100239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).