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

C11H14BrClN2O — CID 119453836

IUPAC4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O.ClH/c12-9-3-1-8(2-4-9)11(15)14-10-5-6-13-7-10;/h1-4,10,13H,5-7H2,(H,14,15);1H
InChIKeyZJOIBSJNCFOHIB-UHFFFAOYSA-N
MW305.60 g/mol
LogP1.96
Rot. Bonds2

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

4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119453836) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is 4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119453836
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC Name4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O.ClH/c12-9-3-1-8(2-4-9)11(15)14-10-5-6-13-7-10;/h1-4,10,13H,5-7H2,(H,14,15);1H
InChIKeyZJOIBSJNCFOHIB-UHFFFAOYSA-N
XLogP1.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689032
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
4-bromo-2-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451440
3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide
CID 81472649
1-(4-bromophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 119453521
N-cyclopropyl-4-(pyrrolidin-3-ylamino)benzamide
CID 79724165
4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710
4-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79689167
4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119454464
4-(cyclopropanecarbonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453816
3-[(4-bromobenzoyl)amino]-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 91646526

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119453836) is 4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride is Cl.O=C(NC1CCNC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is ZJOIBSJNCFOHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O.ClH/c12-9-3-1-8(2-4-9)11(15)14-10-5-6-13-7-10;/h1-4,10,13H,5-7H2,(H,14,15);1H.
What are the key properties of 4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride?
4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 305.60 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119453836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).