(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide

C11H13BrN2O — CID 22691460

IUPAC(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(Br)c1)[C@@H]1CCCN1
InChIInChI=1S/C11H13BrN2O/c12-8-3-1-4-9(7-8)14-11(15)10-5-2-6-13-10/h1,3-4,7,10,13H,2,5-6H2,(H,14,15)/t10-/m0/s1
InChIKeyNZEKGGMJYIQYPK-JTQLQIEISA-N
MW269.14 g/mol
LogP2.14
Rot. Bonds2

About (2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide

(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide (PubChem CID 22691460) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is (2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
PubChem CID22691460
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(Br)c1)[C@@H]1CCCN1
InChIInChI=1S/C11H13BrN2O/c12-8-3-1-4-9(7-8)14-11(15)10-5-2-6-13-10/h1,3-4,7,10,13H,2,5-6H2,(H,14,15)/t10-/m0/s1
InChIKeyNZEKGGMJYIQYPK-JTQLQIEISA-N
XLogP2.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)piperidine-2-carboxamide
CID 18073202
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119270285
N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60711040
(2R)-N-(3-cyanophenyl)pyrrolidine-2-carboxamide
CID 104900460
3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 104913517
3-(azepane-2-carbonylamino)benzoic acid
CID 64563826
(2S)-N-[3-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 113297589
N-[3-(tert-butylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119283635
(2R)-N-(3-chlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119671014
N-(3-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 82044662
methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate
CID 103809256

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide (CID 22691460) is (2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide is O=C(Nc1cccc(Br)c1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide?
The InChIKey is NZEKGGMJYIQYPK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13BrN2O/c12-8-3-1-4-9(7-8)14-11(15)10-5-2-6-13-10/h1,3-4,7,10,13H,2,5-6H2,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide?
(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide has a molecular weight of 269.14 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 22691460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).