N-(3,5-dichloro-4-methylphenyl)-2-pyrrolidin-1-ylacetamide

C13H16Cl2N2O — CID 23555755

IUPACN-(3,5-dichloro-4-methylphenyl)-2-pyrrolidin-1-ylacetamide
SMILESCc1c(Cl)cc(NC(=O)CN2CCCC2)cc1Cl
InChIInChI=1S/C13H16Cl2N2O/c1-9-11(14)6-10(7-12(9)15)16-13(18)8-17-4-2-3-5-17/h6-7H,2-5,8H2,1H3,(H,16,18)
InChIKeyQEMMJNHQCBUATJ-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.34
Rot. Bonds3

About N-(3,5-dichloro-4-methylphenyl)-2-pyrrolidin-1-ylacetamide

N-(3,5-dichloro-4-methylphenyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 23555755) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is N-(3,5-dichloro-4-methylphenyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-methylphenyl)-2-pyrrolidin-1-ylacetamide
PubChem CID23555755
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC NameN-(3,5-dichloro-4-methylphenyl)-2-pyrrolidin-1-ylacetamide
SMILESCc1c(Cl)cc(NC(=O)CN2CCCC2)cc1Cl
InChIInChI=1S/C13H16Cl2N2O/c1-9-11(14)6-10(7-12(9)15)16-13(18)8-17-4-2-3-5-17/h6-7H,2-5,8H2,1H3,(H,16,18)
InChIKeyQEMMJNHQCBUATJ-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
N-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide
CID 16779269
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832627
N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901793
2-(4-aminopiperidin-1-yl)-N-(3,5-dichloro-4-hydroxyphenyl)acetamide
CID 107680442
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
N-(3-chloro-4-methylphenyl)-1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909395

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-methylphenyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(3,5-dichloro-4-methylphenyl)-2-pyrrolidin-1-ylacetamide (CID 23555755) is N-(3,5-dichloro-4-methylphenyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(3,5-dichloro-4-methylphenyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(3,5-dichloro-4-methylphenyl)-2-pyrrolidin-1-ylacetamide is Cc1c(Cl)cc(NC(=O)CN2CCCC2)cc1Cl.
What is the InChIKey of N-(3,5-dichloro-4-methylphenyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is QEMMJNHQCBUATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-9-11(14)6-10(7-12(9)15)16-13(18)8-17-4-2-3-5-17/h6-7H,2-5,8H2,1H3,(H,16,18).
What are the key properties of N-(3,5-dichloro-4-methylphenyl)-2-pyrrolidin-1-ylacetamide?
N-(3,5-dichloro-4-methylphenyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 287.19 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-methylphenyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 23555755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).