N-[(3,4-dichlorophenyl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]acetamide

C15H21Cl2N3O — CID 124852047

IUPACN-[(3,4-dichlorophenyl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]acetamide
SMILESCN(C)[C@@H]1CCN(CC(=O)NCc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H21Cl2N3O/c1-19(2)12-5-6-20(9-12)10-15(21)18-8-11-3-4-13(16)14(17)7-11/h3-4,7,12H,5-6,8-10H2,1-2H3,(H,18,21)/t12-/m1/s1
InChIKeyUCYZPZGEQIBAOH-GFCCVEGCSA-N
MW330.26 g/mol
LogP2.25
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]acetamide

N-[(3,4-dichlorophenyl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]acetamide (PubChem CID 124852047) has the molecular formula C15H21Cl2N3O and a molecular weight of 330.26 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]acetamide
PubChem CID124852047
Molecular FormulaC15H21Cl2N3O
Molecular Weight330.26 g/mol
Exact Mass329.11
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]acetamide
SMILESCN(C)[C@@H]1CCN(CC(=O)NCc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H21Cl2N3O/c1-19(2)12-5-6-20(9-12)10-15(21)18-8-11-3-4-13(16)14(17)7-11/h3-4,7,12H,5-6,8-10H2,1-2H3,(H,18,21)/t12-/m1/s1
InChIKeyUCYZPZGEQIBAOH-GFCCVEGCSA-N
XLogP2.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(2-ethyl-3-methyl-1H-indol-5-yl)methyl]acetamide
CID 95563368
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]acetamide
CID 91781842
1-(1-benzylpyrrolidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]-1-ethylurea
CID 53234320
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[[4-[[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]acetyl]amino]phenyl]methyl]phenyl]acetamide
CID 53322175
N-[(3,4-dichlorophenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 111123262
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 2654996
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 91777300
1-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-3-[(3,4-dichlorophenyl)methyl]-1-methylurea
CID 53235419
1-(1-benzylpyrrolidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]-1-ethylthiourea
CID 23931715
2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 124852434
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide
CID 91767930
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 91841682

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]acetamide (CID 124852047) is N-[(3,4-dichlorophenyl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]acetamide is CN(C)[C@@H]1CCN(CC(=O)NCc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]acetamide?
The InChIKey is UCYZPZGEQIBAOH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21Cl2N3O/c1-19(2)12-5-6-20(9-12)10-15(21)18-8-11-3-4-13(16)14(17)7-11/h3-4,7,12H,5-6,8-10H2,1-2H3,(H,18,21)/t12-/m1/s1.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]acetamide?
N-[(3,4-dichlorophenyl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]acetamide has a molecular weight of 330.26 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 124852047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).