2-(2,6-dichlorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide

C15H20Cl2N2O — CID 94003929

IUPAC2-(2,6-dichlorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide
SMILESCCN1CCC[C@@H]1CNC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H20Cl2N2O/c1-2-19-8-4-5-11(19)10-18-15(20)9-12-13(16)6-3-7-14(12)17/h3,6-7,11H,2,4-5,8-10H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyLHSAORDNHPFUND-LLVKDONJSA-N
MW315.24 g/mol
LogP3.14
Rot. Bonds5

About 2-(2,6-dichlorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide

2-(2,6-dichlorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide (PubChem CID 94003929) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide
PubChem CID94003929
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name2-(2,6-dichlorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide
SMILESCCN1CCC[C@@H]1CNC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H20Cl2N2O/c1-2-19-8-4-5-11(19)10-18-15(20)9-12-13(16)6-3-7-14(12)17/h3,6-7,11H,2,4-5,8-10H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyLHSAORDNHPFUND-LLVKDONJSA-N
XLogP3.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 63589407
2-amino-6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 55244322
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 61399758
3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
CID 45171992
2-(2-chlorophenyl)ethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate
CID 6735969
3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 43109626
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 24706556
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
CID 47136529
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119952665
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-iodobenzamide
CID 8839724
N-[4-[2-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 92707737

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide (CID 94003929) is 2-(2,6-dichlorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide is CCN1CCC[C@@H]1CNC(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide?
The InChIKey is LHSAORDNHPFUND-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-2-19-8-4-5-11(19)10-18-15(20)9-12-13(16)6-3-7-14(12)17/h3,6-7,11H,2,4-5,8-10H2,1H3,(H,18,20)/t11-/m1/s1.
What are the key properties of 2-(2,6-dichlorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide?
2-(2,6-dichlorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide has a molecular weight of 315.24 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 94003929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).