N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C15H21Cl3N2O — CID 119758543

IUPACN-[2-(3,4-dichlorophenyl)propan-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCC(C)(NC(=O)CC1CCCN1)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C15H20Cl2N2O.ClH/c1-15(2,10-5-6-12(16)13(17)8-10)19-14(20)9-11-4-3-7-18-11;/h5-6,8,11,18H,3-4,7,9H2,1-2H3,(H,19,20);1H
InChIKeyKGIFKXDOVCVHGR-UHFFFAOYSA-N
MW351.71 g/mol
LogP3.91
Rot. Bonds4

About N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119758543) has the molecular formula C15H21Cl3N2O and a molecular weight of 351.71 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)propan-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119758543
Molecular FormulaC15H21Cl3N2O
Molecular Weight351.71 g/mol
Exact Mass350.07
IUPAC NameN-[2-(3,4-dichlorophenyl)propan-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCC(C)(NC(=O)CC1CCCN1)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C15H20Cl2N2O.ClH/c1-15(2,10-5-6-12(16)13(17)8-10)19-14(20)9-11-4-3-7-18-11;/h5-6,8,11,18H,3-4,7,9H2,1-2H3,(H,19,20);1H
InChIKeyKGIFKXDOVCVHGR-UHFFFAOYSA-N
XLogP3.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.71
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119938128
N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119707437
N-(2-isoquinolin-1-ylpropan-2-yl)-2-[(2S)-pyrrolidin-2-yl]acetamide
CID 166072086
N-(4-chloro-3-fluorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119708349
N-(3-methylpentan-3-yl)-2-pyrrolidin-2-ylacetamide
CID 103811397
N-[2-(4-bromophenyl)-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119733957
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119760103
N-tert-butyl-2-piperidin-2-ylacetamide
CID 43151334
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
3,4-dichloro-N-(pyrrolidin-2-ylmethyl)aniline;oxalic acid
CID 17389918
2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 63045287
N-[1-(4-bromophenyl)-2-methylpropan-2-yl]-2-pyrrolidin-2-ylacetamide
CID 119772728

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119758543) is N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride is CC(C)(NC(=O)CC1CCCN1)c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is KGIFKXDOVCVHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O.ClH/c1-15(2,10-5-6-12(16)13(17)8-10)19-14(20)9-11-4-3-7-18-11;/h5-6,8,11,18H,3-4,7,9H2,1-2H3,(H,19,20);1H.
What are the key properties of N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 351.71 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119758543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).