2-acetamido-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]acetamide

C18H25ClN4O3 — CID 60563659

IUPAC2-acetamido-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)NCC(=O)NCC(c1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C18H25ClN4O3/c1-13(24)20-11-17(25)22-12-18(26)21-10-16(23-7-2-3-8-23)14-5-4-6-15(19)9-14/h4-6,9,16H,2-3,7-8,10-12H2,1H3,(H,20,24)(H,21,26)(H,22,25)
InChIKeyMPHWQOZBSAVZEJ-UHFFFAOYSA-N
MW380.88 g/mol
LogP0.85
Rot. Bonds8

About 2-acetamido-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]acetamide

2-acetamido-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]acetamide (PubChem CID 60563659) has the molecular formula C18H25ClN4O3 and a molecular weight of 380.88 g/mol. Its IUPAC name is 2-acetamido-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]acetamide
PubChem CID60563659
Molecular FormulaC18H25ClN4O3
Molecular Weight380.88 g/mol
Exact Mass380.16
IUPAC Name2-acetamido-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)NCC(=O)NCC(c1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C18H25ClN4O3/c1-13(24)20-11-17(25)22-12-18(26)21-10-16(23-7-2-3-8-23)14-5-4-6-15(19)9-14/h4-6,9,16H,2-3,7-8,10-12H2,1H3,(H,20,24)(H,21,26)(H,22,25)
InChIKeyMPHWQOZBSAVZEJ-UHFFFAOYSA-N
XLogP0.85
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 55658814
(2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 119849472
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506817
4-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-2-one
CID 82131677
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2,6-dimethoxybenzamide
CID 112506810
5-acetamido-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-fluorobenzamide
CID 60567599
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3,4-dimethylbenzamide
CID 112506811
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119849478
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(dimethylcarbamoylamino)acetamide
CID 118768790
3-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110896124
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 112506809
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 110933948

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-acetamido-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]acetamide (CID 60563659) is 2-acetamido-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-acetamido-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]acetamide is CC(=O)NCC(=O)NCC(=O)NCC(c1cccc(Cl)c1)N1CCCC1.
What is the InChIKey of 2-acetamido-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]acetamide?
The InChIKey is MPHWQOZBSAVZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O3/c1-13(24)20-11-17(25)22-12-18(26)21-10-16(23-7-2-3-8-23)14-5-4-6-15(19)9-14/h4-6,9,16H,2-3,7-8,10-12H2,1H3,(H,20,24)(H,21,26)(H,22,25).
What are the key properties of 2-acetamido-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]acetamide?
2-acetamido-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]acetamide has a molecular weight of 380.88 g/mol, XLogP of 0.85, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 60563659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).