(2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide

C12H15BrN2O — CID 61402429

IUPAC(2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1Br)[C@@H]1CCCN1
InChIInChI=1S/C12H15BrN2O/c13-10-5-2-1-4-9(10)8-15-12(16)11-6-3-7-14-11/h1-2,4-5,11,14H,3,6-8H2,(H,15,16)/t11-/m0/s1
InChIKeyBRZMPCPIIHSOSG-NSHDSACASA-N
MW283.17 g/mol
LogP1.82
Rot. Bonds3

About (2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide

(2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 61402429) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is (2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID61402429
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name(2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1Br)[C@@H]1CCCN1
InChIInChI=1S/C12H15BrN2O/c13-10-5-2-1-4-9(10)8-15-12(16)11-6-3-7-14-11/h1-2,4-5,11,14H,3,6-8H2,(H,15,16)/t11-/m0/s1
InChIKeyBRZMPCPIIHSOSG-NSHDSACASA-N
XLogP1.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 126781786
(2R)-N-[[2-(ethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 103795112
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 60740965
(2R)-N-(naphthalen-1-ylmethyl)piperidine-2-carboxamide
CID 103808745
(2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119688344
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119836618
(3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide
CID 81141738
N-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119280308
N-[[2-(diethylaminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 60717846
(2S)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 93359111
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
(2S)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 61253216

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide (CID 61402429) is (2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide is O=C(NCc1ccccc1Br)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is BRZMPCPIIHSOSG-NSHDSACASA-N. The full InChI is InChI=1S/C12H15BrN2O/c13-10-5-2-1-4-9(10)8-15-12(16)11-6-3-7-14-11/h1-2,4-5,11,14H,3,6-8H2,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide?
(2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 283.17 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61402429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).