1-[2-amino-1-(3-bromophenyl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide

C16H24BrN3O — CID 106317790

IUPAC1-[2-amino-1-(3-bromophenyl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(c2cccc(Br)c2)C(C)N)C1
InChIInChI=1S/C16H24BrN3O/c1-11(18)14(12-5-4-6-13(17)9-12)20-8-7-16(2,10-20)15(21)19-3/h4-6,9,11,14H,7-8,10,18H2,1-3H3,(H,19,21)
InChIKeyPZXJUXITDHKHDN-UHFFFAOYSA-N
MW354.29 g/mol
LogP2.30
Rot. Bonds4

About 1-[2-amino-1-(3-bromophenyl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide

1-[2-amino-1-(3-bromophenyl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106317790) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is 1-[2-amino-1-(3-bromophenyl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-amino-1-(3-bromophenyl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106317790
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC Name1-[2-amino-1-(3-bromophenyl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(c2cccc(Br)c2)C(C)N)C1
InChIInChI=1S/C16H24BrN3O/c1-11(18)14(12-5-4-6-13(17)9-12)20-8-7-16(2,10-20)15(21)19-3/h4-6,9,11,14H,7-8,10,18H2,1-3H3,(H,19,21)
InChIKeyPZXJUXITDHKHDN-UHFFFAOYSA-N
XLogP2.30
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-1-(furan-2-yl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317794
1-(3-bromophenyl)-1-(4,4-dimethylazepan-1-yl)propan-2-amine
CID 65283859
1-[1-(2,6-dihydroxyphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322633
1-[2-amino-1-(3-bromophenyl)propyl]-N-methylpiperidine-3-carboxamide
CID 103194675
1-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 55019574
1-[2-amino-1-(4-methylphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317853
N-[1-(3-bromophenyl)ethyl]-1-methylcyclopentane-1-carboxamide
CID 112726205
5-bromo-2-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]benzoic acid
CID 106318917
1-(2-amino-1-phenylpropyl)-3-methylpyrrolidin-3-ol
CID 103355450
1-[2-amino-2-(4-methylphenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318151
1-(3-bromophenyl)-1-(4-propylpiperidin-1-yl)propan-2-amine
CID 63404037
1-[1-(3-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 65064418

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(3-bromophenyl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-amino-1-(3-bromophenyl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide (CID 106317790) is 1-[2-amino-1-(3-bromophenyl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-amino-1-(3-bromophenyl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-amino-1-(3-bromophenyl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(C(c2cccc(Br)c2)C(C)N)C1.
What is the InChIKey of 1-[2-amino-1-(3-bromophenyl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is PZXJUXITDHKHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-11(18)14(12-5-4-6-13(17)9-12)20-8-7-16(2,10-20)15(21)19-3/h4-6,9,11,14H,7-8,10,18H2,1-3H3,(H,19,21).
What are the key properties of 1-[2-amino-1-(3-bromophenyl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide?
1-[2-amino-1-(3-bromophenyl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 354.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(3-bromophenyl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106317790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).