(3R)-1-N-[(2-bromo-5-fluorophenyl)methyl]pyrrolidine-1,3-dicarboxamide

C13H15BrFN3O2 — CID 94650730

IUPAC(3R)-1-N-[(2-bromo-5-fluorophenyl)methyl]pyrrolidine-1,3-dicarboxamide
SMILESNC(=O)[C@@H]1CCN(C(=O)NCc2cc(F)ccc2Br)C1
InChIInChI=1S/C13H15BrFN3O2/c14-11-2-1-10(15)5-9(11)6-17-13(20)18-4-3-8(7-18)12(16)19/h1-2,5,8H,3-4,6-7H2,(H2,16,19)(H,17,20)/t8-/m1/s1
InChIKeySBEKTCJAXVKXGE-MRVPVSSYSA-N
MW344.18 g/mol
LogP1.61
Rot. Bonds3

About (3R)-1-N-[(2-bromo-5-fluorophenyl)methyl]pyrrolidine-1,3-dicarboxamide

(3R)-1-N-[(2-bromo-5-fluorophenyl)methyl]pyrrolidine-1,3-dicarboxamide (PubChem CID 94650730) has the molecular formula C13H15BrFN3O2 and a molecular weight of 344.18 g/mol. Its IUPAC name is (3R)-1-N-[(2-bromo-5-fluorophenyl)methyl]pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N-[(2-bromo-5-fluorophenyl)methyl]pyrrolidine-1,3-dicarboxamide
PubChem CID94650730
Molecular FormulaC13H15BrFN3O2
Molecular Weight344.18 g/mol
Exact Mass343.03
IUPAC Name(3R)-1-N-[(2-bromo-5-fluorophenyl)methyl]pyrrolidine-1,3-dicarboxamide
SMILESNC(=O)[C@@H]1CCN(C(=O)NCc2cc(F)ccc2Br)C1
InChIInChI=1S/C13H15BrFN3O2/c14-11-2-1-10(15)5-9(11)6-17-13(20)18-4-3-8(7-18)12(16)19/h1-2,5,8H,3-4,6-7H2,(H2,16,19)(H,17,20)/t8-/m1/s1
InChIKeySBEKTCJAXVKXGE-MRVPVSSYSA-N
XLogP1.61
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-N-[(2-bromo-5-fluorophenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94650729
N-[(2-bromo-5-fluorophenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443782
4-[(2-bromo-5-fluorophenyl)methylamino]piperidine-1-carboxamide
CID 54902697
1-N-[(3-fluorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 47027642
3-[(2-bromo-5-fluorophenyl)methylamino]cyclohexane-1-carboxamide
CID 71967391
1-[(2,5-difluorophenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63791734
1-N-[(2-cyclopentyloxyphenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 56797916
tert-butyl 3-[2-(2-bromo-5-fluorophenyl)acetyl]pyrrolidine-1-carboxylate
CID 107091938
1-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-1,3-dicarboxamide
CID 56819732
1-[2-(2,5-difluorophenyl)acetyl]piperidine-4-carboxamide
CID 119138730
N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide
CID 115598132
1-[3-(2-bromo-5-fluorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 120512240

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-[(2-bromo-5-fluorophenyl)methyl]pyrrolidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N-[(2-bromo-5-fluorophenyl)methyl]pyrrolidine-1,3-dicarboxamide (CID 94650730) is (3R)-1-N-[(2-bromo-5-fluorophenyl)methyl]pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N-[(2-bromo-5-fluorophenyl)methyl]pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N-[(2-bromo-5-fluorophenyl)methyl]pyrrolidine-1,3-dicarboxamide is NC(=O)[C@@H]1CCN(C(=O)NCc2cc(F)ccc2Br)C1.
What is the InChIKey of (3R)-1-N-[(2-bromo-5-fluorophenyl)methyl]pyrrolidine-1,3-dicarboxamide?
The InChIKey is SBEKTCJAXVKXGE-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15BrFN3O2/c14-11-2-1-10(15)5-9(11)6-17-13(20)18-4-3-8(7-18)12(16)19/h1-2,5,8H,3-4,6-7H2,(H2,16,19)(H,17,20)/t8-/m1/s1.
What are the key properties of (3R)-1-N-[(2-bromo-5-fluorophenyl)methyl]pyrrolidine-1,3-dicarboxamide?
(3R)-1-N-[(2-bromo-5-fluorophenyl)methyl]pyrrolidine-1,3-dicarboxamide has a molecular weight of 344.18 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-[(2-bromo-5-fluorophenyl)methyl]pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 94650730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).