methyl N-[1-(5-amino-2,3-dichlorobenzoyl)pyrrolidin-3-yl]carbamate

C13H15Cl2N3O3 — CID 107185781

IUPACmethyl N-[1-(5-amino-2,3-dichlorobenzoyl)pyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)c2cc(N)cc(Cl)c2Cl)C1
InChIInChI=1S/C13H15Cl2N3O3/c1-21-13(20)17-8-2-3-18(6-8)12(19)9-4-7(16)5-10(14)11(9)15/h4-5,8H,2-3,6,16H2,1H3,(H,17,20)
InChIKeyYMZVNBBCZWPHFX-UHFFFAOYSA-N
MW332.19 g/mol
LogP2.15
Rot. Bonds2

About methyl N-[1-(5-amino-2,3-dichlorobenzoyl)pyrrolidin-3-yl]carbamate

methyl N-[1-(5-amino-2,3-dichlorobenzoyl)pyrrolidin-3-yl]carbamate (PubChem CID 107185781) has the molecular formula C13H15Cl2N3O3 and a molecular weight of 332.19 g/mol. Its IUPAC name is methyl N-[1-(5-amino-2,3-dichlorobenzoyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(5-amino-2,3-dichlorobenzoyl)pyrrolidin-3-yl]carbamate
PubChem CID107185781
Molecular FormulaC13H15Cl2N3O3
Molecular Weight332.19 g/mol
Exact Mass331.05
IUPAC Namemethyl N-[1-(5-amino-2,3-dichlorobenzoyl)pyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)c2cc(N)cc(Cl)c2Cl)C1
InChIInChI=1S/C13H15Cl2N3O3/c1-21-13(20)17-8-2-3-18(6-8)12(19)9-4-7(16)5-10(14)11(9)15/h4-5,8H,2-3,6,16H2,1H3,(H,17,20)
InChIKeyYMZVNBBCZWPHFX-UHFFFAOYSA-N
XLogP2.15
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl N-[1-(5-amino-2,3-dichlorobenzoyl)pyrrolidin-3-yl]carbamate 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

(5-amino-2,3-dichlorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 107185109
(5-amino-2,3-dichlorophenyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107210976
(5-amino-2,3-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 107185070
methyl N-[(3S)-1-benzoylpyrrolidin-3-yl]carbamate
CID 124575994
(5-amino-2,3-dichlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 107185687
(4-amino-2-chlorophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372653
(5-amino-2,3-dichlorophenyl)-(4-propylazepan-1-yl)methanone
CID 107185271
(4-amino-2-chlorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916789
(5-amino-2,3-dichlorophenyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 107185001
methyl N-[1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate
CID 113402195
(4-amino-2-chlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113267297
N-[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methanesulfonamide
CID 61107146

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(5-amino-2,3-dichlorobenzoyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-(5-amino-2,3-dichlorobenzoyl)pyrrolidin-3-yl]carbamate (CID 107185781) is methyl N-[1-(5-amino-2,3-dichlorobenzoyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-(5-amino-2,3-dichlorobenzoyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-(5-amino-2,3-dichlorobenzoyl)pyrrolidin-3-yl]carbamate is COC(=O)NC1CCN(C(=O)c2cc(N)cc(Cl)c2Cl)C1.
What is the InChIKey of methyl N-[1-(5-amino-2,3-dichlorobenzoyl)pyrrolidin-3-yl]carbamate?
The InChIKey is YMZVNBBCZWPHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O3/c1-21-13(20)17-8-2-3-18(6-8)12(19)9-4-7(16)5-10(14)11(9)15/h4-5,8H,2-3,6,16H2,1H3,(H,17,20).
What are the key properties of methyl N-[1-(5-amino-2,3-dichlorobenzoyl)pyrrolidin-3-yl]carbamate?
methyl N-[1-(5-amino-2,3-dichlorobenzoyl)pyrrolidin-3-yl]carbamate has a molecular weight of 332.19 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(5-amino-2,3-dichlorobenzoyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 107185781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).