(2S)-N-(3-bromo-2-methylphenyl)pyrrolidine-2-carboxamide

C12H15BrN2O — CID 103794811

IUPAC(2S)-N-(3-bromo-2-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1c(Br)cccc1NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C12H15BrN2O/c1-8-9(13)4-2-5-10(8)15-12(16)11-6-3-7-14-11/h2,4-5,11,14H,3,6-7H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyGYULSJLTYGXCSO-NSHDSACASA-N
MW283.17 g/mol
LogP2.45
Rot. Bonds2

About (2S)-N-(3-bromo-2-methylphenyl)pyrrolidine-2-carboxamide

(2S)-N-(3-bromo-2-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 103794811) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is (2S)-N-(3-bromo-2-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-bromo-2-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID103794811
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name(2S)-N-(3-bromo-2-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1c(Br)cccc1NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C12H15BrN2O/c1-8-9(13)4-2-5-10(8)15-12(16)11-6-3-7-14-11/h2,4-5,11,14H,3,6-7H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyGYULSJLTYGXCSO-NSHDSACASA-N
XLogP2.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261902
N-(3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281809
N-(2-bromophenyl)piperidine-2-carboxamide
CID 18071832
2-methyl-6-[[(2S)-pyrrolidine-2-carbonyl]amino]benzoic acid
CID 53360304
N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide
CID 79602150
N-(3-bromo-2-methylphenyl)cyclopentanecarboxamide
CID 103639120
(2S)-N-(2-bromo-4-methylphenyl)pyrrolidine-2-carboxamide
CID 22691461
(2S)-N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 61179515
N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 43710389
N-(3-bromo-2-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 107625159
(2R)-N-(2-methyl-3-nitrophenyl)piperidine-2-carboxamide
CID 104913038
N-[3-bromo-2-(methoxymethyl)phenyl]azepane-2-carboxamide
CID 64564041

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-bromo-2-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-bromo-2-methylphenyl)pyrrolidine-2-carboxamide (CID 103794811) is (2S)-N-(3-bromo-2-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-bromo-2-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-bromo-2-methylphenyl)pyrrolidine-2-carboxamide is Cc1c(Br)cccc1NC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(3-bromo-2-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is GYULSJLTYGXCSO-NSHDSACASA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-8-9(13)4-2-5-10(8)15-12(16)11-6-3-7-14-11/h2,4-5,11,14H,3,6-7H2,1H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-N-(3-bromo-2-methylphenyl)pyrrolidine-2-carboxamide?
(2S)-N-(3-bromo-2-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 283.17 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-bromo-2-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 103794811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).