1-[(3-amino-5-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide

C14H20BrN3O — CID 103349926

IUPAC1-[(3-amino-5-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1Cc1cc(N)cc(Br)c1
InChIInChI=1S/C14H20BrN3O/c1-17(2)14(19)13-4-3-5-18(13)9-10-6-11(15)8-12(16)7-10/h6-8,13H,3-5,9,16H2,1-2H3
InChIKeyLVILTIFNNFKZIZ-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.08
Rot. Bonds3

About 1-[(3-amino-5-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[(3-amino-5-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 103349926) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 1-[(3-amino-5-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(3-amino-5-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID103349926
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name1-[(3-amino-5-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1Cc1cc(N)cc(Br)c1
InChIInChI=1S/C14H20BrN3O/c1-17(2)14(19)13-4-3-5-18(13)9-10-6-11(15)8-12(16)7-10/h6-8,13H,3-5,9,16H2,1-2H3
InChIKeyLVILTIFNNFKZIZ-UHFFFAOYSA-N
XLogP2.08
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(3-aminophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575439
1-[(3-amino-4-hydroxyphenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575433
1-[(2-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 75833581
1-[(2-amino-5-fluorophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575443
1-[[2-(aminomethyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 43576049
4-[(3-amino-5-bromophenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 103350002
[1-[(3-amino-5-bromophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 103350027
1-[(3-bromo-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 79673021
1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide
CID 43577772
1-[4-[(3-amino-5-bromophenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 103349966
(2R)-1-[[4-(2-cyanophenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 25479714
1-[(4-aminophenyl)methyl]pyrrolidine-2-carboxamide
CID 43212133

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-5-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(3-amino-5-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 103349926) is 1-[(3-amino-5-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(3-amino-5-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(3-amino-5-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1Cc1cc(N)cc(Br)c1.
What is the InChIKey of 1-[(3-amino-5-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is LVILTIFNNFKZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-17(2)14(19)13-4-3-5-18(13)9-10-6-11(15)8-12(16)7-10/h6-8,13H,3-5,9,16H2,1-2H3.
What are the key properties of 1-[(3-amino-5-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[(3-amino-5-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 326.24 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-5-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 103349926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).