3-amino-N-(3-bromophenyl)pyrrolidine-1-carboxamide

C11H14BrN3O — CID 164946130

IUPAC3-amino-N-(3-bromophenyl)pyrrolidine-1-carboxamide
SMILESNC1CCN(C(=O)Nc2cccc(Br)c2)C1
InChIInChI=1S/C11H14BrN3O/c12-8-2-1-3-10(6-8)14-11(16)15-5-4-9(13)7-15/h1-3,6,9H,4-5,7,13H2,(H,14,16)
InChIKeyWGYOLUQIRYTXEL-UHFFFAOYSA-N
MW284.16 g/mol
LogP2.01
Rot. Bonds1

About 3-amino-N-(3-bromophenyl)pyrrolidine-1-carboxamide

3-amino-N-(3-bromophenyl)pyrrolidine-1-carboxamide (PubChem CID 164946130) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 3-amino-N-(3-bromophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-bromophenyl)pyrrolidine-1-carboxamide
PubChem CID164946130
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name3-amino-N-(3-bromophenyl)pyrrolidine-1-carboxamide
SMILESNC1CCN(C(=O)Nc2cccc(Br)c2)C1
InChIInChI=1S/C11H14BrN3O/c12-8-2-1-3-10(6-8)14-11(16)15-5-4-9(13)7-15/h1-3,6,9H,4-5,7,13H2,(H,14,16)
InChIKeyWGYOLUQIRYTXEL-UHFFFAOYSA-N
XLogP2.01
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-(3-bromophenyl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040
3-amino-N-[3-(trifluoromethylsulfanyl)phenyl]pyrrolidine-1-carboxamide;hydrochloride
CID 154903217
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 119410579
2-[(3-aminopyrrolidine-1-carbonyl)amino]-4-bromobenzoic acid
CID 55029999
(3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide
CID 107654257
3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 62068743
3-[(3-bromophenyl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 126697825
(3R)-3-amino-N-(4-chlorophenyl)pyrrolidine-1-carboxamide;hydrochloride
CID 165430484
3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride
CID 139034966
3-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea;hydrochloride
CID 119412176
(3S)-3-amino-N-(4-cyanophenyl)pyrrolidine-1-carboxamide
CID 113282408
1-[(3-bromophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61191507

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-bromophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-amino-N-(3-bromophenyl)pyrrolidine-1-carboxamide (CID 164946130) is 3-amino-N-(3-bromophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3-bromophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-amino-N-(3-bromophenyl)pyrrolidine-1-carboxamide is NC1CCN(C(=O)Nc2cccc(Br)c2)C1.
What is the InChIKey of 3-amino-N-(3-bromophenyl)pyrrolidine-1-carboxamide?
The InChIKey is WGYOLUQIRYTXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c12-8-2-1-3-10(6-8)14-11(16)15-5-4-9(13)7-15/h1-3,6,9H,4-5,7,13H2,(H,14,16).
What are the key properties of 3-amino-N-(3-bromophenyl)pyrrolidine-1-carboxamide?
3-amino-N-(3-bromophenyl)pyrrolidine-1-carboxamide has a molecular weight of 284.16 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-bromophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 164946130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).