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

C16H18ClN3O2 — CID 119454464

IUPAC4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1ccc(C(=O)c2cc[nH]c2)cc1
InChIInChI=1S/C16H17N3O2.ClH/c20-15(13-5-7-17-9-13)11-1-3-12(4-2-11)16(21)19-14-6-8-18-10-14;/h1-5,7,9,14,17-18H,6,8,10H2,(H,19,21);1H
InChIKeyLOMNXVNGGZLODP-UHFFFAOYSA-N
MW319.79 g/mol
LogP1.76
Rot. Bonds4

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

4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119454464) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119454464
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1ccc(C(=O)c2cc[nH]c2)cc1
InChIInChI=1S/C16H17N3O2.ClH/c20-15(13-5-7-17-9-13)11-1-3-12(4-2-11)16(21)19-14-6-8-18-10-14;/h1-5,7,9,14,17-18H,6,8,10H2,(H,19,21);1H
InChIKeyLOMNXVNGGZLODP-UHFFFAOYSA-N
XLogP1.76
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453836
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689032
N-(2-piperidin-3-ylethyl)-4-(1H-pyrrole-3-carbonyl)benzamide;hydrochloride
CID 119559628
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
N-cyclopropyl-4-(pyrrolidin-3-ylamino)benzamide
CID 79724165
4-(cyclopropanecarbonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453816
4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710
6-oxo-N-pyrrolidin-3-ylpyran-3-carboxamide
CID 62379515
N-pyrrolidin-3-yl-4-pyrrol-1-ylbenzamide
CID 82176966
4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453188
1-methyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide
CID 83619398

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119454464) is 4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride is Cl.O=C(NC1CCNC1)c1ccc(C(=O)c2cc[nH]c2)cc1.
What is the InChIKey of 4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is LOMNXVNGGZLODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2.ClH/c20-15(13-5-7-17-9-13)11-1-3-12(4-2-11)16(21)19-14-6-8-18-10-14;/h1-5,7,9,14,17-18H,6,8,10H2,(H,19,21);1H.
What are the key properties of 4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride?
4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 319.79 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119454464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).