1-[2-amino-1-(4-bromophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide

C14H20BrN3O — CID 55016173

IUPAC1-[2-amino-1-(4-bromophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(CN)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrN3O/c1-17-14(19)12-3-2-8-18(12)13(9-16)10-4-6-11(15)7-5-10/h4-7,12-13H,2-3,8-9,16H2,1H3,(H,17,19)
InChIKeyGBDPQHXEEDWBPX-UHFFFAOYSA-N
MW326.24 g/mol
LogP1.66
Rot. Bonds4

About 1-[2-amino-1-(4-bromophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide

1-[2-amino-1-(4-bromophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 55016173) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 1-[2-amino-1-(4-bromophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-amino-1-(4-bromophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID55016173
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name1-[2-amino-1-(4-bromophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(CN)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrN3O/c1-17-14(19)12-3-2-8-18(12)13(9-16)10-4-6-11(15)7-5-10/h4-7,12-13H,2-3,8-9,16H2,1H3,(H,17,19)
InChIKeyGBDPQHXEEDWBPX-UHFFFAOYSA-N
XLogP1.66
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(4-bromophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-amino-1-(4-bromophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide (CID 55016173) is 1-[2-amino-1-(4-bromophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-amino-1-(4-bromophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-amino-1-(4-bromophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(CN)c1ccc(Br)cc1.
What is the InChIKey of 1-[2-amino-1-(4-bromophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is GBDPQHXEEDWBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-17-14(19)12-3-2-8-18(12)13(9-16)10-4-6-11(15)7-5-10/h4-7,12-13H,2-3,8-9,16H2,1H3,(H,17,19).
What are the key properties of 1-[2-amino-1-(4-bromophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide?
1-[2-amino-1-(4-bromophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 326.24 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(4-bromophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 55016173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).