3,4-dichloro-N-(2-pyrrolidin-1-ylethoxy)benzamide

C13H16Cl2N2O2 — CID 110643022

IUPAC3,4-dichloro-N-(2-pyrrolidin-1-ylethoxy)benzamide
SMILESO=C(NOCCN1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c14-11-4-3-10(9-12(11)15)13(18)16-19-8-7-17-5-1-2-6-17/h3-4,9H,1-2,5-8H2,(H,16,18)
InChIKeyCVTVZJFMGSBZHH-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.75
Rot. Bonds5

About 3,4-dichloro-N-(2-pyrrolidin-1-ylethoxy)benzamide

3,4-dichloro-N-(2-pyrrolidin-1-ylethoxy)benzamide (PubChem CID 110643022) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-pyrrolidin-1-ylethoxy)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-pyrrolidin-1-ylethoxy)benzamide
PubChem CID110643022
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name3,4-dichloro-N-(2-pyrrolidin-1-ylethoxy)benzamide
SMILESO=C(NOCCN1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c14-11-4-3-10(9-12(11)15)13(18)16-19-8-7-17-5-1-2-6-17/h3-4,9H,1-2,5-8H2,(H,16,18)
InChIKeyCVTVZJFMGSBZHH-UHFFFAOYSA-N
XLogP2.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,4-dichloro-N-(2-pyrrolidin-1-ylethoxy)benzamide 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

3,4-dimethyl-N-(2-piperidin-1-ylethoxy)benzamide
CID 110642888
3-bromo-N-(2-piperidin-1-ylethoxy)benzamide
CID 110417493
3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
3,4,5-triethoxy-N-(2-piperidin-1-ylethoxy)benzamide
CID 110642916
3,4-dichloro-N-(2-methylpropoxy)benzamide
CID 115409805
2-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)acetamide
CID 110643034
2-(azepan-1-yl)-1-(3,4-dichlorophenyl)ethanone
CID 43219228
3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 103734735
N-(2-morpholin-4-ylethoxy)benzamide
CID 110642751
1-(3,4-dichlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207252
2-[(3,4-dichlorobenzoyl)amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 46113767
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-pyrrolidin-1-ylethoxy)benzamide?
The IUPAC name of 3,4-dichloro-N-(2-pyrrolidin-1-ylethoxy)benzamide (CID 110643022) is 3,4-dichloro-N-(2-pyrrolidin-1-ylethoxy)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(2-pyrrolidin-1-ylethoxy)benzamide?
The canonical SMILES for 3,4-dichloro-N-(2-pyrrolidin-1-ylethoxy)benzamide is O=C(NOCCN1CCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2-pyrrolidin-1-ylethoxy)benzamide?
The InChIKey is CVTVZJFMGSBZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c14-11-4-3-10(9-12(11)15)13(18)16-19-8-7-17-5-1-2-6-17/h3-4,9H,1-2,5-8H2,(H,16,18).
What are the key properties of 3,4-dichloro-N-(2-pyrrolidin-1-ylethoxy)benzamide?
3,4-dichloro-N-(2-pyrrolidin-1-ylethoxy)benzamide has a molecular weight of 303.19 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-pyrrolidin-1-ylethoxy)benzamide is sourced from PubChem (CID 110643022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).