N-propyl-4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride

C19H24ClN3O2 — CID 119533288

IUPACN-propyl-4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)C1CCNC1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-2-11-22(17-8-10-21-13-17)19(24)15-5-3-14(4-6-15)18(23)16-7-9-20-12-16;/h3-7,9,12,17,20-21H,2,8,10-11,13H2,1H3;1H
InChIKeyPLGBOEGSAQHVGT-UHFFFAOYSA-N
MW361.87 g/mol
LogP2.88
Rot. Bonds6

About N-propyl-4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride

N-propyl-4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119533288) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is N-propyl-4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-propyl-4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119533288
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC NameN-propyl-4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)C1CCNC1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-2-11-22(17-8-10-21-13-17)19(24)15-5-3-14(4-6-15)18(23)16-7-9-20-12-16;/h3-7,9,12,17,20-21H,2,8,10-11,13H2,1H3;1H
InChIKeyPLGBOEGSAQHVGT-UHFFFAOYSA-N
XLogP2.88
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119530230
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide
CID 63300842
4-(difluoromethylsulfanyl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119531624
4-(2-methylpropanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119532098
N-propyl-4-(propylsulfonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530957
4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008
4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119531585
N-propyl-N-pyrrolidin-3-yl-4-(sulfamoylmethyl)benzamide
CID 119530020
N-propyl-N-pyrrolidin-3-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 119529985
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of N-propyl-4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119533288) is N-propyl-4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for N-propyl-4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for N-propyl-4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride is CCCN(C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)C1CCNC1.Cl.
What is the InChIKey of N-propyl-4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is PLGBOEGSAQHVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.ClH/c1-2-11-22(17-8-10-21-13-17)19(24)15-5-3-14(4-6-15)18(23)16-7-9-20-12-16;/h3-7,9,12,17,20-21H,2,8,10-11,13H2,1H3;1H.
What are the key properties of N-propyl-4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
N-propyl-4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 361.87 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119533288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).