N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide

C22H27ClN4O2 — CID 8816232

IUPACN-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C22H27ClN4O2/c1-26(15-21(28)24-19-9-7-18(23)8-10-19)16-22(29)25-20-11-12-27(14-20)13-17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3,(H,24,28)(H,25,29)/t20-/m1/s1
InChIKeySLTFQVCZIUFKEC-HXUWFJFHSA-N
MW414.94 g/mol
LogP2.60
Rot. Bonds8

About N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide

N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 8816232) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID8816232
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC NameN-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C22H27ClN4O2/c1-26(15-21(28)24-19-9-7-18(23)8-10-19)16-22(29)25-20-11-12-27(14-20)13-17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3,(H,24,28)(H,25,29)/t20-/m1/s1
InChIKeySLTFQVCZIUFKEC-HXUWFJFHSA-N
XLogP2.60
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide 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

N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetamide
CID 9137299
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid
CID 155341898
2-amino-N-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]acetamide
CID 54551711
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
CID 18156432
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-chlorophenyl)acetamide
CID 16589818
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9167461
1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea
CID 24528876
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide
CID 18078825
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide
CID 62833579

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide (CID 8816232) is N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide is CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is SLTFQVCZIUFKEC-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27ClN4O2/c1-26(15-21(28)24-19-9-7-18(23)8-10-19)16-22(29)25-20-11-12-27(14-20)13-17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3,(H,24,28)(H,25,29)/t20-/m1/s1.
What are the key properties of N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide?
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 414.94 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 8816232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).