methyl 1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-2-carboxylate

C14H15Cl2NO4 — CID 43410150

IUPACmethyl 1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1cc(Cl)c(OC)c(Cl)c1
InChIInChI=1S/C14H15Cl2NO4/c1-20-12-9(15)6-8(7-10(12)16)13(18)17-5-3-4-11(17)14(19)21-2/h6-7,11H,3-5H2,1-2H3
InChIKeySVBALOZMOPASIL-UHFFFAOYSA-N
MW332.18 g/mol
LogP2.78
Rot. Bonds3

About methyl 1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-2-carboxylate

methyl 1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-2-carboxylate (PubChem CID 43410150) has the molecular formula C14H15Cl2NO4 and a molecular weight of 332.18 g/mol. Its IUPAC name is methyl 1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-2-carboxylate
PubChem CID43410150
Molecular FormulaC14H15Cl2NO4
Molecular Weight332.18 g/mol
Exact Mass331.04
IUPAC Namemethyl 1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1cc(Cl)c(OC)c(Cl)c1
InChIInChI=1S/C14H15Cl2NO4/c1-20-12-9(15)6-8(7-10(12)16)13(18)17-5-3-4-11(17)14(19)21-2/h6-7,11H,3-5H2,1-2H3
InChIKeySVBALOZMOPASIL-UHFFFAOYSA-N
XLogP2.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-2-carboxylate 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

(2S)-1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 61136443
methyl (2S)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 2337414
methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate
CID 79833341
methyl 1-(5,6-dichloropyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 43388589
(3,5-dichloro-4-methoxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030156
methyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate
CID 80975441
(3,5-dichloro-4-methoxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 43048100
methyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate
CID 115280018
methyl 1-(3,5-dichloro-4-methoxybenzoyl)piperidine-4-carboxylate
CID 51219311
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
methyl (2R)-1-(3,4,5-trifluorobenzoyl)piperidine-2-carboxylate
CID 79835988

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-2-carboxylate (CID 43410150) is methyl 1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1cc(Cl)c(OC)c(Cl)c1.
What is the InChIKey of methyl 1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-2-carboxylate?
The InChIKey is SVBALOZMOPASIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO4/c1-20-12-9(15)6-8(7-10(12)16)13(18)17-5-3-4-11(17)14(19)21-2/h6-7,11H,3-5H2,1-2H3.
What are the key properties of methyl 1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-2-carboxylate?
methyl 1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-2-carboxylate has a molecular weight of 332.18 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 43410150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).