(2S)-N-(2-bromo-4-methylphenyl)pyrrolidine-2-carboxamide

C12H15BrN2O — CID 22691461

IUPAC(2S)-N-(2-bromo-4-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCCN2)c(Br)c1
InChIInChI=1S/C12H15BrN2O/c1-8-4-5-10(9(13)7-8)15-12(16)11-3-2-6-14-11/h4-5,7,11,14H,2-3,6H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyBFOMABNSNLPXNA-NSHDSACASA-N
MW283.17 g/mol
LogP2.45
Rot. Bonds2

About (2S)-N-(2-bromo-4-methylphenyl)pyrrolidine-2-carboxamide

(2S)-N-(2-bromo-4-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 22691461) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is (2S)-N-(2-bromo-4-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-bromo-4-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID22691461
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name(2S)-N-(2-bromo-4-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCCN2)c(Br)c1
InChIInChI=1S/C12H15BrN2O/c1-8-4-5-10(9(13)7-8)15-12(16)11-3-2-6-14-11/h4-5,7,11,14H,2-3,6H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyBFOMABNSNLPXNA-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-bromo-5-methylphenyl)piperidine-2-carboxamide
CID 104914544
(2S)-N-(2-chloro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 28881291
(2S)-N-(2-bromo-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 28939511
(2S)-N-(2-methoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 61178330
(2S)-N-(2-chloro-5-methylphenyl)pyrrolidine-2-carboxamide
CID 103794561
(2R)-N-(2-bromo-4-chlorophenyl)piperidine-2-carboxamide
CID 104914354
(2R)-N-(2-ethoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 93360332
(2S)-N-(3-bromo-2-methylphenyl)pyrrolidine-2-carboxamide
CID 103794811
(2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide
CID 103808460
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
(2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 67505940
N-(2-bromophenyl)piperidine-2-carboxamide
CID 18071832

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-bromo-4-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-bromo-4-methylphenyl)pyrrolidine-2-carboxamide (CID 22691461) is (2S)-N-(2-bromo-4-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-bromo-4-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-bromo-4-methylphenyl)pyrrolidine-2-carboxamide is Cc1ccc(NC(=O)[C@@H]2CCCN2)c(Br)c1.
What is the InChIKey of (2S)-N-(2-bromo-4-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is BFOMABNSNLPXNA-NSHDSACASA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-8-4-5-10(9(13)7-8)15-12(16)11-3-2-6-14-11/h4-5,7,11,14H,2-3,6H2,1H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-N-(2-bromo-4-methylphenyl)pyrrolidine-2-carboxamide?
(2S)-N-(2-bromo-4-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-(2-bromo-4-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 22691461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).