(2S)-1-(2-bromobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide

C15H17BrN2O2 — CID 93318065

IUPAC(2S)-1-(2-bromobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN1C(=O)c1ccccc1Br
InChIInChI=1S/C15H17BrN2O2/c16-12-5-2-1-4-11(12)15(20)18-9-3-6-13(18)14(19)17-10-7-8-10/h1-2,4-5,10,13H,3,6-9H2,(H,17,19)/t13-/m0/s1
InChIKeyXQIXODRIIZIXLD-ZDUSSCGKSA-N
MW337.22 g/mol
LogP2.33
Rot. Bonds3

About (2S)-1-(2-bromobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide

(2S)-1-(2-bromobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 93318065) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is (2S)-1-(2-bromobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-bromobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
PubChem CID93318065
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name(2S)-1-(2-bromobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN1C(=O)c1ccccc1Br
InChIInChI=1S/C15H17BrN2O2/c16-12-5-2-1-4-11(12)15(20)18-9-3-6-13(18)14(19)17-10-7-8-10/h1-2,4-5,10,13H,3,6-9H2,(H,17,19)/t13-/m0/s1
InChIKeyXQIXODRIIZIXLD-ZDUSSCGKSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 60950947
N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide
CID 47158357
1-(2-bromo-5-methylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 80973644
N-cyclopropyl-1-[2-(methylamino)benzoyl]pyrrolidine-2-carboxamide
CID 61378639
N-cyclopropyl-1-(2,3-dimethylbenzoyl)pyrrolidine-2-carboxamide
CID 78857677
[1-(2-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357641
1-(2-bromobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041349
N-cyclopropyl-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxamide
CID 78850429
N-(4-aminocyclohexyl)-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119477060
N-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60758403
(2R)-N-cyclopropyl-1-[4-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92729944
N-cyclopropyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47164597

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-bromobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(2-bromobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide (CID 93318065) is (2S)-1-(2-bromobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-bromobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-bromobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide is O=C(NC1CC1)[C@@H]1CCCN1C(=O)c1ccccc1Br.
What is the InChIKey of (2S)-1-(2-bromobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is XQIXODRIIZIXLD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c16-12-5-2-1-4-11(12)15(20)18-9-3-6-13(18)14(19)17-10-7-8-10/h1-2,4-5,10,13H,3,6-9H2,(H,17,19)/t13-/m0/s1.
What are the key properties of (2S)-1-(2-bromobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
(2S)-1-(2-bromobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 337.22 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-bromobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 93318065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).