3-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-methylbutanamide

C15H22BrN3O — CID 120503919

IUPAC3-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NC1CCN(c2ccccc2Br)C1
InChIInChI=1S/C15H22BrN3O/c1-10(11(2)17)15(20)18-12-7-8-19(9-12)14-6-4-3-5-13(14)16/h3-6,10-12H,7-9,17H2,1-2H3,(H,18,20)
InChIKeyLTHAWMSUAZOXHN-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.13
Rot. Bonds4

About 3-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-methylbutanamide

3-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-methylbutanamide (PubChem CID 120503919) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 3-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-methylbutanamide
PubChem CID120503919
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name3-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NC1CCN(c2ccccc2Br)C1
InChIInChI=1S/C15H22BrN3O/c1-10(11(2)17)15(20)18-12-7-8-19(9-12)14-6-4-3-5-13(14)16/h3-6,10-12H,7-9,17H2,1-2H3,(H,18,20)
InChIKeyLTHAWMSUAZOXHN-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methylpentanamide
CID 119884424
2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide
CID 120670298
3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride
CID 120504219
trans-(1R,3R)-3-amino-N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 124700001
3-amino-2-methyl-N-(1-phenylpiperidin-3-yl)butanamide;dihydrochloride
CID 120504040
N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide;dihydrochloride
CID 119884373
2-[[N-[1-(2-bromophenyl)pyrrolidin-3-yl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide
CID 119150786
N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]furan-3-carboxamide
CID 95620420
1-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]-3-(2-methoxyethyl)urea
CID 96523423
2-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]acetic acid
CID 117004212
N-[(3S)-1-(2-bromophenyl)pyrrolidin-3-yl]pyridazine-4-carboxamide
CID 124573736
N-[1-(2-bromophenyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119884405

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-methylbutanamide?
The IUPAC name of 3-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-methylbutanamide (CID 120503919) is 3-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-methylbutanamide?
The canonical SMILES for 3-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-methylbutanamide is CC(N)C(C)C(=O)NC1CCN(c2ccccc2Br)C1.
What is the InChIKey of 3-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-methylbutanamide?
The InChIKey is LTHAWMSUAZOXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-10(11(2)17)15(20)18-12-7-8-19(9-12)14-6-4-3-5-13(14)16/h3-6,10-12H,7-9,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-methylbutanamide?
3-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-methylbutanamide has a molecular weight of 340.27 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-methylbutanamide is sourced from PubChem (CID 120503919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).