2-acetamido-N-[2-[(3,4-dichlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]acetamide

C19H26Cl2N4O3 — CID 60600929

IUPAC2-acetamido-N-[2-[(3,4-dichlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)NCC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H26Cl2N4O3/c1-14(26)22-11-18(27)23-12-19(28)25(9-8-24-6-2-3-7-24)13-15-4-5-16(20)17(21)10-15/h4-5,10H,2-3,6-9,11-13H2,1H3,(H,22,26)(H,23,27)
InChIKeyQVVNIOYVYWMGHM-UHFFFAOYSA-N
MW429.35 g/mol
LogP1.67
Rot. Bonds9

About 2-acetamido-N-[2-[(3,4-dichlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]acetamide

2-acetamido-N-[2-[(3,4-dichlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]acetamide (PubChem CID 60600929) has the molecular formula C19H26Cl2N4O3 and a molecular weight of 429.35 g/mol. Its IUPAC name is 2-acetamido-N-[2-[(3,4-dichlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[2-[(3,4-dichlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]acetamide
PubChem CID60600929
Molecular FormulaC19H26Cl2N4O3
Molecular Weight429.35 g/mol
Exact Mass428.14
IUPAC Name2-acetamido-N-[2-[(3,4-dichlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)NCC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H26Cl2N4O3/c1-14(26)22-11-18(27)23-12-19(28)25(9-8-24-6-2-3-7-24)13-15-4-5-16(20)17(21)10-15/h4-5,10H,2-3,6-9,11-13H2,1H3,(H,22,26)(H,23,27)
InChIKeyQVVNIOYVYWMGHM-UHFFFAOYSA-N
XLogP1.67
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 10337537
N-[(3,4-dichlorophenyl)methyl]-3-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 47084250
N-[(3,4-dichlorophenyl)methyl]-N-propylpropanamide
CID 142120101
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-piperidin-1-ylpropan-1-amine
CID 54462268
2-[[2-[(2,4-dichloro-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetyl]amino]-N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 91117912
[[amino-[4-[[[2-[[2-[(2,4-dichloro-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetyl]amino]acetyl]-(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]methylidene]amino] acetate
CID 91509961
2-(3,4-dichlorophenyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575166
methyl (2S)-2-[(3,4-dichlorophenyl)methyl-(2-pyrrolidin-1-ylethylsulfonyl)amino]propanoate
CID 44602038
2-(3,4-dichlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996675
3-[(3,4-dichlorophenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one
CID 78860526
N-[3-(azepan-1-yl)propyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 99951347
1-(3,4-dichlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207252

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-[(3,4-dichlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-acetamido-N-[2-[(3,4-dichlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]acetamide (CID 60600929) is 2-acetamido-N-[2-[(3,4-dichlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[2-[(3,4-dichlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-acetamido-N-[2-[(3,4-dichlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]acetamide is CC(=O)NCC(=O)NCC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-acetamido-N-[2-[(3,4-dichlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]acetamide?
The InChIKey is QVVNIOYVYWMGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2N4O3/c1-14(26)22-11-18(27)23-12-19(28)25(9-8-24-6-2-3-7-24)13-15-4-5-16(20)17(21)10-15/h4-5,10H,2-3,6-9,11-13H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 2-acetamido-N-[2-[(3,4-dichlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]acetamide?
2-acetamido-N-[2-[(3,4-dichlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]acetamide has a molecular weight of 429.35 g/mol, XLogP of 1.67, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-[(3,4-dichlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 60600929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).