2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one

C14H19BrN2O — CID 43806052

IUPAC2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccc(Br)cc1NC(C)C(=O)N1CCCC1
InChIInChI=1S/C14H19BrN2O/c1-10-5-6-12(15)9-13(10)16-11(2)14(18)17-7-3-4-8-17/h5-6,9,11,16H,3-4,7-8H2,1-2H3
InChIKeyPMTXQACHRMXGQY-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.18
Rot. Bonds3

About 2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one

2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 43806052) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID43806052
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccc(Br)cc1NC(C)C(=O)N1CCCC1
InChIInChI=1S/C14H19BrN2O/c1-10-5-6-12(15)9-13(10)16-11(2)14(18)17-7-3-4-8-17/h5-6,9,11,16H,3-4,7-8H2,1-2H3
InChIKeyPMTXQACHRMXGQY-UHFFFAOYSA-N
XLogP3.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dibromoanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 54955580
2-(2-amino-5-bromoanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 113408314
1-(azepan-1-yl)-2-(5-bromo-2-fluoroanilino)propan-1-one
CID 43555646
2-[5-bromo-2-(trifluoromethyl)anilino]-1-pyrrolidin-1-ylpropan-1-one
CID 107286522
5-bromo-2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 65307144
2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylethanone
CID 43806024
2-(4-bromo-3-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083553
2-amino-2-(5-bromo-2-methylphenyl)-1-pyrrolidin-1-ylethanone
CID 116851346
2-(2,4-dimethylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083827
2-(2-bromo-5-chloro-4-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 104723342
(2S)-2-(4,5-dimethoxy-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 30377089
2-(2,3-dimethylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 42912733

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one (CID 43806052) is 2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one is Cc1ccc(Br)cc1NC(C)C(=O)N1CCCC1.
What is the InChIKey of 2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is PMTXQACHRMXGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10-5-6-12(15)9-13(10)16-11(2)14(18)17-7-3-4-8-17/h5-6,9,11,16H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one?
2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 311.22 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 43806052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).