3,4-dichloro-N,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]benzamide

C13H16Cl2N2O — CID 45487720

IUPAC3,4-dichloro-N,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCc1c(C(=O)N(C)[C@@H]2CCNC2)ccc(Cl)c1Cl
InChIInChI=1S/C13H16Cl2N2O/c1-8-10(3-4-11(14)12(8)15)13(18)17(2)9-5-6-16-7-9/h3-4,9,16H,5-7H2,1-2H3/t9-/m1/s1
InChIKeyALLVIFFNCLDETM-SECBINFHSA-N
MW287.19 g/mol
LogP2.74
Rot. Bonds2

About 3,4-dichloro-N,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]benzamide

3,4-dichloro-N,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]benzamide (PubChem CID 45487720) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is 3,4-dichloro-N,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]benzamide
PubChem CID45487720
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name3,4-dichloro-N,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCc1c(C(=O)N(C)[C@@H]2CCNC2)ccc(Cl)c1Cl
InChIInChI=1S/C13H16Cl2N2O/c1-8-10(3-4-11(14)12(8)15)13(18)17(2)9-5-6-16-7-9/h3-4,9,16H,5-7H2,1-2H3/t9-/m1/s1
InChIKeyALLVIFFNCLDETM-SECBINFHSA-N
XLogP2.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,4-dichloro-N,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]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

PF-184298
CID 11392888
3,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 2807080
3,4-dichloro-N-propylbenzamide
CID 346715
3,4-dichloro-N-(pentan-2-yl)benzamide
CID 346721
Benzamide, 3,4-dichloro-N-methyl-N-(2-(1-pyrrolidinyl)cyclohexyl)-, cis-
CID 183470
(S)-3,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)benzamide
CID 11174494
(S)-3-chloro-N-isobutyl-N-(pyrrolidin-3-yl)benzamide
CID 11300496
(R)-3,4-dichloro-N-isopropyl-2-methyl-N-(pyrrolidin-3-yl)benzamide
CID 11301501
(S)-2,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)benzamide
CID 11336016
(S)-N-(2,3-dichlorobenzyl)-3-methyl-N-(pyrrolidin-3-yl)butanamide
CID 11500848
(R)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11544186
(S)-N-(2,3,4-trichlorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11573849

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 3,4-dichloro-N,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]benzamide (CID 45487720) is 3,4-dichloro-N,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]benzamide is Cc1c(C(=O)N(C)[C@@H]2CCNC2)ccc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-N,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]benzamide?
The InChIKey is ALLVIFFNCLDETM-SECBINFHSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-8-10(3-4-11(14)12(8)15)13(18)17(2)9-5-6-16-7-9/h3-4,9,16H,5-7H2,1-2H3/t9-/m1/s1.
What are the key properties of 3,4-dichloro-N,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]benzamide?
3,4-dichloro-N,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]benzamide has a molecular weight of 287.19 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 45487720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).