N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride

C20H24ClN3O2 — CID 119298239

IUPACN-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCN(C(=O)Cc1ccc(NC(=O)C2CCCN2)cc1)c1ccccc1.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-23(17-6-3-2-4-7-17)19(24)14-15-9-11-16(12-10-15)22-20(25)18-8-5-13-21-18;/h2-4,6-7,9-12,18,21H,5,8,13-14H2,1H3,(H,22,25);1H
InChIKeyVLMRHKLBUUNFHV-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.00
Rot. Bonds5

About N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride

N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119298239) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119298239
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCN(C(=O)Cc1ccc(NC(=O)C2CCCN2)cc1)c1ccccc1.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-23(17-6-3-2-4-7-17)19(24)14-15-9-11-16(12-10-15)22-20(25)18-8-5-13-21-18;/h2-4,6-7,9-12,18,21H,5,8,13-14H2,1H3,(H,22,25);1H
InChIKeyVLMRHKLBUUNFHV-UHFFFAOYSA-N
XLogP3.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride 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-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]piperidine-2-carboxamide
CID 119286338
ethane;N-[4-[[N-[[4-(pyrrolidine-2-carbonylamino)phenyl]methyl]anilino]methyl]phenyl]pyrrolidine-2-carboxamide
CID 90855570
N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119283612
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
(2R)-N-[4-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 103813174
(2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 103795041
3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid
CID 115339993
(2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 143190903
N-[4-(ethoxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 71987055
N-[4-(acetamidomethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119321333
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119298239) is N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride is CN(C(=O)Cc1ccc(NC(=O)C2CCCN2)cc1)c1ccccc1.Cl.
What is the InChIKey of N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is VLMRHKLBUUNFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.ClH/c1-23(17-6-3-2-4-7-17)19(24)14-15-9-11-16(12-10-15)22-20(25)18-8-5-13-21-18;/h2-4,6-7,9-12,18,21H,5,8,13-14H2,1H3,(H,22,25);1H.
What are the key properties of N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119298239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).