2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

C12H16BrClN2O — CID 119511017

IUPAC2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)c1ccccc1Br
InChIInChI=1S/C12H15BrN2O.ClH/c13-11-6-2-1-5-10(11)12(16)15-8-9-4-3-7-14-9;/h1-2,5-6,9,14H,3-4,7-8H2,(H,15,16);1H
InChIKeyRVXGWJXSTWBVEN-UHFFFAOYSA-N
MW319.63 g/mol
LogP2.35
Rot. Bonds3

About 2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (PubChem CID 119511017) has the molecular formula C12H16BrClN2O and a molecular weight of 319.63 g/mol. Its IUPAC name is 2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
PubChem CID119511017
Molecular FormulaC12H16BrClN2O
Molecular Weight319.63 g/mol
Exact Mass318.01
IUPAC Name2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)c1ccccc1Br
InChIInChI=1S/C12H15BrN2O.ClH/c13-11-6-2-1-5-10(11)12(16)15-8-9-4-3-7-14-9;/h1-2,5-6,9,14H,3-4,7-8H2,(H,15,16);1H
InChIKeyRVXGWJXSTWBVEN-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972061
2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 103806355
N-[[(2R)-pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide;hydrochloride
CID 175666321
2-ethylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513194
2-(propylsulfonylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510091
1-hydroxy-N-(piperidin-2-ylmethyl)naphthalene-2-carboxamide
CID 43185174
2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513205
N-(pyrrolidin-2-ylmethyl)-2-(thiophene-2-carbonyl)benzamide
CID 119513719
3-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793555
5-bromo-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 119513668
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
CID 119514272
4-[(2-bromophenoxy)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119512587

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (CID 119511017) is 2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is Cl.O=C(NCC1CCCN1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is RVXGWJXSTWBVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O.ClH/c13-11-6-2-1-5-10(11)12(16)15-8-9-4-3-7-14-9;/h1-2,5-6,9,14H,3-4,7-8H2,(H,15,16);1H.
What are the key properties of 2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 319.63 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119511017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).