(2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide

C13H17BrN2O — CID 103795927

IUPAC(2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)[C@H]1CCCN1)c1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O/c1-9(10-4-6-11(14)7-5-10)16-13(17)12-3-2-8-15-12/h4-7,9,12,15H,2-3,8H2,1H3,(H,16,17)/t9?,12-/m1/s1
InChIKeyAHKMEORJHLOECO-FFFFSGIJSA-N
MW297.20 g/mol
LogP2.38
Rot. Bonds3

About (2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide

(2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 103795927) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is (2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID103795927
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name(2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)[C@H]1CCCN1)c1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O/c1-9(10-4-6-11(14)7-5-10)16-13(17)12-3-2-8-15-12/h4-7,9,12,15H,2-3,8H2,1H3,(H,16,17)/t9?,12-/m1/s1
InChIKeyAHKMEORJHLOECO-FFFFSGIJSA-N
XLogP2.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide
CID 103809894
(2S)-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81356074
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81355839
(2R)-N-[(1R)-1-[4-(difluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 175925248
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657
N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide
CID 81355602
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
(2S)-N-[1-(3-bromophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119285496
N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 60711733
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
(2S)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119274665
N-[1-(4-ethylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 119318058

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide (CID 103795927) is (2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide is CC(NC(=O)[C@H]1CCCN1)c1ccc(Br)cc1.
What is the InChIKey of (2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is AHKMEORJHLOECO-FFFFSGIJSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-9(10-4-6-11(14)7-5-10)16-13(17)12-3-2-8-15-12/h4-7,9,12,15H,2-3,8H2,1H3,(H,16,17)/t9?,12-/m1/s1.
What are the key properties of (2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide?
(2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 297.20 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 103795927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).