(2S)-N-[1-(3-bromophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride

C13H18BrClN2O — CID 119285496

IUPAC(2S)-N-[1-(3-bromophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)[C@@H]1CCCN1)c1cccc(Br)c1.Cl
InChIInChI=1S/C13H17BrN2O.ClH/c1-9(10-4-2-5-11(14)8-10)16-13(17)12-6-3-7-15-12;/h2,4-5,8-9,12,15H,3,6-7H2,1H3,(H,16,17);1H/t9?,12-;/m0./s1
InChIKeyVHNOOVHDHYJWAB-RLOOEAFISA-N
MW333.66 g/mol
LogP2.80
Rot. Bonds3

About (2S)-N-[1-(3-bromophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-[1-(3-bromophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119285496) has the molecular formula C13H18BrClN2O and a molecular weight of 333.66 g/mol. Its IUPAC name is (2S)-N-[1-(3-bromophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[1-(3-bromophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119285496
Molecular FormulaC13H18BrClN2O
Molecular Weight333.66 g/mol
Exact Mass332.03
IUPAC Name(2S)-N-[1-(3-bromophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)[C@@H]1CCCN1)c1cccc(Br)c1.Cl
InChIInChI=1S/C13H17BrN2O.ClH/c1-9(10-4-2-5-11(14)8-10)16-13(17)12-6-3-7-15-12;/h2,4-5,8-9,12,15H,3,6-7H2,1H3,(H,16,17);1H/t9?,12-;/m0./s1
InChIKeyVHNOOVHDHYJWAB-RLOOEAFISA-N
XLogP2.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(1R)-1-(3-bromophenyl)ethyl]piperidine-2-carboxamide
CID 104914374
N-[(1R)-1-(3-bromophenyl)ethyl]azepane-2-carboxamide
CID 81375889
(2S)-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81360819
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657
N-[1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119280218
(2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103795927
N-[1-(3-bromophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119285498
(2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide
CID 103809894
N-[(1R)-1-(3-fluorophenyl)ethyl]azepane-2-carboxamide
CID 81365964
N-[(1R)-1-(3-chlorophenyl)ethyl]azepane-2-carboxamide
CID 81371968
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
(2R)-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119900377

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(3-bromophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[1-(3-bromophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119285496) is (2S)-N-[1-(3-bromophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[1-(3-bromophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[1-(3-bromophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride is CC(NC(=O)[C@@H]1CCCN1)c1cccc(Br)c1.Cl.
What is the InChIKey of (2S)-N-[1-(3-bromophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is VHNOOVHDHYJWAB-RLOOEAFISA-N. The full InChI is InChI=1S/C13H17BrN2O.ClH/c1-9(10-4-2-5-11(14)8-10)16-13(17)12-6-3-7-15-12;/h2,4-5,8-9,12,15H,3,6-7H2,1H3,(H,16,17);1H/t9?,12-;/m0./s1.
What are the key properties of (2S)-N-[1-(3-bromophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-[1-(3-bromophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 333.66 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(3-bromophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119285496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).