1-[1-(4-bromophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride

C14H19BrClN3O2 — CID 175168204

IUPAC1-[1-(4-bromophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride
SMILESCC(c1ccc(Br)cc1)N1CC(C(N)=O)C(C(N)=O)C1.Cl
InChIInChI=1S/C14H18BrN3O2.ClH/c1-8(9-2-4-10(15)5-3-9)18-6-11(13(16)19)12(7-18)14(17)20;/h2-5,8,11-12H,6-7H2,1H3,(H2,16,19)(H2,17,20);1H
InChIKeyIYCVSMTYMQESST-UHFFFAOYSA-N
MW376.68 g/mol
LogP1.45
Rot. Bonds4

About 1-[1-(4-bromophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride

1-[1-(4-bromophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride (PubChem CID 175168204) has the molecular formula C14H19BrClN3O2 and a molecular weight of 376.68 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride
PubChem CID175168204
Molecular FormulaC14H19BrClN3O2
Molecular Weight376.68 g/mol
Exact Mass375.03
IUPAC Name1-[1-(4-bromophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride
SMILESCC(c1ccc(Br)cc1)N1CC(C(N)=O)C(C(N)=O)C1.Cl
InChIInChI=1S/C14H18BrN3O2.ClH/c1-8(9-2-4-10(15)5-3-9)18-6-11(13(16)19)12(7-18)14(17)20;/h2-5,8,11-12H,6-7H2,1H3,(H2,16,19)(H2,17,20);1H
InChIKeyIYCVSMTYMQESST-UHFFFAOYSA-N
XLogP1.45
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.68
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride
CID 175163146
S-[1-[1-(4-bromophenyl)ethyl]azetidin-3-yl] ethanethioate
CID 86226755
1-[1-(4-bromophenyl)ethyl]pyrrolidine;hydrochloride
CID 119032014
(2R)-2-[4-[(1S)-1-(4-bromophenyl)ethyl]piperazin-1-yl]propanoic acid
CID 124512123
1-[1-[1-(4-bromophenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920985
1-[1-(4-bromophenyl)ethyl]-3-methylpiperidin-4-amine;hydrochloride
CID 119925286
1-[1-(4-bromophenyl)ethyl]pyrrolidine
CID 12738008
(3S,4S)-1-[2-amino-1-(4-bromophenyl)-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 120954271
2-[1-[1-(4-bromophenyl)ethyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83199158
1-[1-(4-bromophenyl)ethyl]-3-methylpiperidin-4-one
CID 54975168
2-[4-[1-(4-bromophenyl)ethyl]morpholin-2-yl]acetic acid
CID 66433752
1-[4-[1-(4-bromophenyl)ethyl]piperazin-1-yl]-2-(cyclopropylmethylamino)ethanone;dihydrochloride
CID 119894341

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride?
The IUPAC name of 1-[1-(4-bromophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride (CID 175168204) is 1-[1-(4-bromophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 1-[1-(4-bromophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride?
The canonical SMILES for 1-[1-(4-bromophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride is CC(c1ccc(Br)cc1)N1CC(C(N)=O)C(C(N)=O)C1.Cl.
What is the InChIKey of 1-[1-(4-bromophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride?
The InChIKey is IYCVSMTYMQESST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2.ClH/c1-8(9-2-4-10(15)5-3-9)18-6-11(13(16)19)12(7-18)14(17)20;/h2-5,8,11-12H,6-7H2,1H3,(H2,16,19)(H2,17,20);1H.
What are the key properties of 1-[1-(4-bromophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride?
1-[1-(4-bromophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride has a molecular weight of 376.68 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)ethyl]pyrrolidine-3,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 175168204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).