2-(4-chlorophenyl)-N-(2-methoxyethyl)-N-[2-(4-phenylpiperazin-1-yl)-1,2-dihydronaphthalen-1-yl]acetamide

C31H34ClN3O2 — CID 44590582

IUPAC2-(4-chlorophenyl)-N-(2-methoxyethyl)-N-[2-(4-phenylpiperazin-1-yl)-1,2-dihydronaphthalen-1-yl]acetamide
SMILESCOCCN(C(=O)Cc1ccc(Cl)cc1)C1c2ccccc2C=CC1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C31H34ClN3O2/c1-37-22-21-35(30(36)23-24-11-14-26(32)15-12-24)31-28-10-6-5-7-25(28)13-16-29(31)34-19-17-33(18-20-34)27-8-3-2-4-9-27/h2-16,29,31H,17-23H2,1H3
InChIKeyXBLICIQHPJUYCZ-UHFFFAOYSA-N
MW516.09 g/mol
LogP5.32
Rot. Bonds8

About 2-(4-chlorophenyl)-N-(2-methoxyethyl)-N-[2-(4-phenylpiperazin-1-yl)-1,2-dihydronaphthalen-1-yl]acetamide

2-(4-chlorophenyl)-N-(2-methoxyethyl)-N-[2-(4-phenylpiperazin-1-yl)-1,2-dihydronaphthalen-1-yl]acetamide (PubChem CID 44590582) has the molecular formula C31H34ClN3O2 and a molecular weight of 516.09 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-methoxyethyl)-N-[2-(4-phenylpiperazin-1-yl)-1,2-dihydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-methoxyethyl)-N-[2-(4-phenylpiperazin-1-yl)-1,2-dihydronaphthalen-1-yl]acetamide
PubChem CID44590582
Molecular FormulaC31H34ClN3O2
Molecular Weight516.09 g/mol
Exact Mass515.23
IUPAC Name2-(4-chlorophenyl)-N-(2-methoxyethyl)-N-[2-(4-phenylpiperazin-1-yl)-1,2-dihydronaphthalen-1-yl]acetamide
SMILESCOCCN(C(=O)Cc1ccc(Cl)cc1)C1c2ccccc2C=CC1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C31H34ClN3O2/c1-37-22-21-35(30(36)23-24-11-14-26(32)15-12-24)31-28-10-6-5-7-25(28)13-16-29(31)34-19-17-33(18-20-34)27-8-3-2-4-9-27/h2-16,29,31H,17-23H2,1H3
InChIKeyXBLICIQHPJUYCZ-UHFFFAOYSA-N
XLogP5.32
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.09
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-(4-morpholinyl)-2-phenylacetamide
CID 2991805
(R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid {(R)-1-(4-chloro-benzyl)-2-[4-(2-dimethylaminomethyl-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-amide
CID 11226756
4-(4-chlorophenyl)-N-[6-(morpholin-4-ylmethyl)-7,8-dihydronaphthalen-2-yl]benzamide
CID 21939915
2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)acetamide
CID 71584414
3-(4-Chlorophenyl)-4-(2,3-dimethylphenyl)-1-(2-methoxyethyl)piperazine-2,5-dione
CID 652796
2-(4-chlorophenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 897379
2-(4-chlorophenyl)-N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 3986625
2-(4-chlorophenyl)-N-(3-ethoxypropyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 5309735
(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(diethylaminomethyl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 11157584
(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-(2-ethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 11214733
(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[(dipropylamino)methyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 11330992
(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(dimethylamino)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 11364802

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-methoxyethyl)-N-[2-(4-phenylpiperazin-1-yl)-1,2-dihydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-methoxyethyl)-N-[2-(4-phenylpiperazin-1-yl)-1,2-dihydronaphthalen-1-yl]acetamide (CID 44590582) is 2-(4-chlorophenyl)-N-(2-methoxyethyl)-N-[2-(4-phenylpiperazin-1-yl)-1,2-dihydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-methoxyethyl)-N-[2-(4-phenylpiperazin-1-yl)-1,2-dihydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-methoxyethyl)-N-[2-(4-phenylpiperazin-1-yl)-1,2-dihydronaphthalen-1-yl]acetamide is COCCN(C(=O)Cc1ccc(Cl)cc1)C1c2ccccc2C=CC1N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-methoxyethyl)-N-[2-(4-phenylpiperazin-1-yl)-1,2-dihydronaphthalen-1-yl]acetamide?
The InChIKey is XBLICIQHPJUYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34ClN3O2/c1-37-22-21-35(30(36)23-24-11-14-26(32)15-12-24)31-28-10-6-5-7-25(28)13-16-29(31)34-19-17-33(18-20-34)27-8-3-2-4-9-27/h2-16,29,31H,17-23H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-(2-methoxyethyl)-N-[2-(4-phenylpiperazin-1-yl)-1,2-dihydronaphthalen-1-yl]acetamide?
2-(4-chlorophenyl)-N-(2-methoxyethyl)-N-[2-(4-phenylpiperazin-1-yl)-1,2-dihydronaphthalen-1-yl]acetamide has a molecular weight of 516.09 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2-methoxyethyl)-N-[2-(4-phenylpiperazin-1-yl)-1,2-dihydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 44590582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).