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

C14H17N3O — CID 115161194

IUPAC3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide
SMILESNCc1cccc(C(=O)NCCc2cc[nH]c2)c1
InChIInChI=1S/C14H17N3O/c15-9-12-2-1-3-13(8-12)14(18)17-7-5-11-4-6-16-10-11/h1-4,6,8,10,16H,5,7,9,15H2,(H,17,18)
InChIKeyMBXUSFCIWGCZFK-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.45
Rot. Bonds5

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

3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide (PubChem CID 115161194) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide
PubChem CID115161194
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide
SMILESNCc1cccc(C(=O)NCCc2cc[nH]c2)c1
InChIInChI=1S/C14H17N3O/c15-9-12-2-1-3-13(8-12)14(18)17-7-5-11-4-6-16-10-11/h1-4,6,8,10,16H,5,7,9,15H2,(H,17,18)
InChIKeyMBXUSFCIWGCZFK-UHFFFAOYSA-N
XLogP1.45
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide
CID 110789338
3-(aminomethyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 60895534
3-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]benzamide
CID 115161199
N-[2-(1H-pyrrol-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110789365
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
2-(1H-pyrrol-3-yl)ethylurea
CID 115168515
N-[2-(1H-pyrrol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 110789374
3-(aminomethyl)-N-(3-formamidopropyl)benzamide
CID 82547191
3-(methylsulfanylmethyl)-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 114182043
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951124
N-[2-(1H-pyrrol-3-yl)ethyl]carbamoyl chloride
CID 115194921
3-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 115176543

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide?
The IUPAC name of 3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide (CID 115161194) is 3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide is NCc1cccc(C(=O)NCCc2cc[nH]c2)c1.
What is the InChIKey of 3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide?
The InChIKey is MBXUSFCIWGCZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-9-12-2-1-3-13(8-12)14(18)17-7-5-11-4-6-16-10-11/h1-4,6,8,10,16H,5,7,9,15H2,(H,17,18).
What are the key properties of 3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide?
3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide has a molecular weight of 243.31 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide is sourced from PubChem (CID 115161194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).