4-(cyclopropanecarbonylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

C16H22ClN3O2 — CID 119554246

IUPAC4-(cyclopropanecarbonylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccc(NC(=O)C2CC2)cc1)C1CCNC1.Cl
InChIInChI=1S/C16H21N3O2.ClH/c1-19(14-8-9-17-10-14)16(21)12-4-6-13(7-5-12)18-15(20)11-2-3-11;/h4-7,11,14,17H,2-3,8-10H2,1H3,(H,18,20);1H
InChIKeyIITGPNWTCPRVAU-UHFFFAOYSA-N
MW323.82 g/mol
LogP1.89
Rot. Bonds4

About 4-(cyclopropanecarbonylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

4-(cyclopropanecarbonylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119554246) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119554246
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name4-(cyclopropanecarbonylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccc(NC(=O)C2CC2)cc1)C1CCNC1.Cl
InChIInChI=1S/C16H21N3O2.ClH/c1-19(14-8-9-17-10-14)16(21)12-4-6-13(7-5-12)18-15(20)11-2-3-11;/h4-7,11,14,17H,2-3,8-10H2,1H3,(H,18,20);1H
InChIKeyIITGPNWTCPRVAU-UHFFFAOYSA-N
XLogP1.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(cyclopropanecarbonylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;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

4-acetamido-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119549858
4-(carbamoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550546
4-[(cyclopentanecarbonylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552829
N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119551120
(3R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81123557
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
4-(cyclopropanecarbonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453816
4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 21034256
N-methyl-4-[methyl(propyl)amino]-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119554876
4-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550537
4-(methoxymethyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119553670
4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119554037

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119554246) is 4-(cyclopropanecarbonylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is CN(C(=O)c1ccc(NC(=O)C2CC2)cc1)C1CCNC1.Cl.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is IITGPNWTCPRVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.ClH/c1-19(14-8-9-17-10-14)16(21)12-4-6-13(7-5-12)18-15(20)11-2-3-11;/h4-7,11,14,17H,2-3,8-10H2,1H3,(H,18,20);1H.
What are the key properties of 4-(cyclopropanecarbonylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
4-(cyclopropanecarbonylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119554246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).