4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

C14H20BrClN2O — CID 119532826

IUPAC4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(Br)cc1)C1CCNC1.Cl
InChIInChI=1S/C14H19BrN2O.ClH/c1-2-9-17(13-7-8-16-10-13)14(18)11-3-5-12(15)6-4-11;/h3-6,13,16H,2,7-10H2,1H3;1H
InChIKeyPBQHPOYRTGPRLY-UHFFFAOYSA-N
MW347.68 g/mol
LogP3.09
Rot. Bonds4

About 4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119532826) has the molecular formula C14H20BrClN2O and a molecular weight of 347.68 g/mol. Its IUPAC name is 4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119532826
Molecular FormulaC14H20BrClN2O
Molecular Weight347.68 g/mol
Exact Mass346.04
IUPAC Name4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(Br)cc1)C1CCNC1.Cl
InChIInChI=1S/C14H19BrN2O.ClH/c1-2-9-17(13-7-8-16-10-13)14(18)11-3-5-12(15)6-4-11;/h3-6,13,16H,2,7-10H2,1H3;1H
InChIKeyPBQHPOYRTGPRLY-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
CID 119531290
4-bromo-N-[3-oxo-3-[propyl(pyrrolidin-3-yl)amino]propyl]benzamide;hydrochloride
CID 119532455
4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300963
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
N-propyl-N-pyrrolidin-3-yl-4-(sulfamoylmethyl)benzamide
CID 119530020
4-(difluoromethylsulfanyl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119531624
N-propyl-4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533288
4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119530230
N-propyl-4-(propylsulfonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530957
4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008
6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide
CID 63300842
4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119531585

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119532826) is 4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is CCCN(C(=O)c1ccc(Br)cc1)C1CCNC1.Cl.
What is the InChIKey of 4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is PBQHPOYRTGPRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O.ClH/c1-2-9-17(13-7-8-16-10-13)14(18)11-3-5-12(15)6-4-11;/h3-6,13,16H,2,7-10H2,1H3;1H.
What are the key properties of 4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 347.68 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119532826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).