N-[2-(dimethylamino)-2-phenylethyl]-3-pyrrol-1-ylbenzamide

C21H23N3O — CID 110301921

IUPACN-[2-(dimethylamino)-2-phenylethyl]-3-pyrrol-1-ylbenzamide
SMILESCN(C)C(CNC(=O)c1cccc(-n2cccc2)c1)c1ccccc1
InChIInChI=1S/C21H23N3O/c1-23(2)20(17-9-4-3-5-10-17)16-22-21(25)18-11-8-12-19(15-18)24-13-6-7-14-24/h3-15,20H,16H2,1-2H3,(H,22,25)
InChIKeyUNXBEFQOMHITRS-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.51
Rot. Bonds6

About N-[2-(dimethylamino)-2-phenylethyl]-3-pyrrol-1-ylbenzamide

N-[2-(dimethylamino)-2-phenylethyl]-3-pyrrol-1-ylbenzamide (PubChem CID 110301921) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-3-pyrrol-1-ylbenzamide
PubChem CID110301921
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-3-pyrrol-1-ylbenzamide
SMILESCN(C)C(CNC(=O)c1cccc(-n2cccc2)c1)c1ccccc1
InChIInChI=1S/C21H23N3O/c1-23(2)20(17-9-4-3-5-10-17)16-22-21(25)18-11-8-12-19(15-18)24-13-6-7-14-24/h3-15,20H,16H2,1-2H3,(H,22,25)
InChIKeyUNXBEFQOMHITRS-UHFFFAOYSA-N
XLogP3.51
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(dimethylamino)-2-phenylethyl]-3-pyrrol-1-ylbenzamide 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

N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
3-(dimethylamino)-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 42891486
3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 27230301
3-acetamido-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 42910974
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3,5-difluorobenzamide
CID 7897282
N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyridine-4-carboxamide
CID 32730765
4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 45001444
N-[2-(dimethylamino)-2-phenylethyl]-5-iodothiophene-3-carboxamide
CID 78949054
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-phenylimidazole-4-carboxamide
CID 41236053
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-pyrrol-1-ylbenzamide
CID 25340437
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 43072487

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-3-pyrrol-1-ylbenzamide (CID 110301921) is N-[2-(dimethylamino)-2-phenylethyl]-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-3-pyrrol-1-ylbenzamide is CN(C)C(CNC(=O)c1cccc(-n2cccc2)c1)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-3-pyrrol-1-ylbenzamide?
The InChIKey is UNXBEFQOMHITRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-23(2)20(17-9-4-3-5-10-17)16-22-21(25)18-11-8-12-19(15-18)24-13-6-7-14-24/h3-15,20H,16H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-3-pyrrol-1-ylbenzamide?
N-[2-(dimethylamino)-2-phenylethyl]-3-pyrrol-1-ylbenzamide has a molecular weight of 333.44 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 110301921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).