4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide

C27H29ClN4O3 — CID 27157023

IUPAC4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)CN3CCN(c4cccc(Cl)c4)CC3)cc2)cc1
InChIInChI=1S/C27H29ClN4O3/c1-2-35-25-12-10-23(11-13-25)30-27(34)20-6-8-22(9-7-20)29-26(33)19-31-14-16-32(17-15-31)24-5-3-4-21(28)18-24/h3-13,18H,2,14-17,19H2,1H3,(H,29,33)(H,30,34)
InChIKeyUUCIVXFRFISZNO-UHFFFAOYSA-N
MW493.01 g/mol
LogP4.75
Rot. Bonds8

About 4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide

4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide (PubChem CID 27157023) has the molecular formula C27H29ClN4O3 and a molecular weight of 493.01 g/mol. Its IUPAC name is 4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
PubChem CID27157023
Molecular FormulaC27H29ClN4O3
Molecular Weight493.01 g/mol
Exact Mass492.19
IUPAC Name4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)CN3CCN(c4cccc(Cl)c4)CC3)cc2)cc1
InChIInChI=1S/C27H29ClN4O3/c1-2-35-25-12-10-23(11-13-25)30-27(34)20-6-8-22(9-7-20)29-26(33)19-31-14-16-32(17-15-31)24-5-3-4-21(28)18-24/h3-13,18H,2,14-17,19H2,1H3,(H,29,33)(H,30,34)
InChIKeyUUCIVXFRFISZNO-UHFFFAOYSA-N
XLogP4.75
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.01
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 2685330
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 8591755
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 988165
N-(4-ethoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029408
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8530335
N-methyl-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 34735853
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 9435760
4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 8930959
N-(4-butoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 3229501
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide
CID 112984512

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide?
The IUPAC name of 4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide (CID 27157023) is 4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide.
What is the SMILES notation for 4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide?
The canonical SMILES for 4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide is CCOc1ccc(NC(=O)c2ccc(NC(=O)CN3CCN(c4cccc(Cl)c4)CC3)cc2)cc1.
What is the InChIKey of 4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide?
The InChIKey is UUCIVXFRFISZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN4O3/c1-2-35-25-12-10-23(11-13-25)30-27(34)20-6-8-22(9-7-20)29-26(33)19-31-14-16-32(17-15-31)24-5-3-4-21(28)18-24/h3-13,18H,2,14-17,19H2,1H3,(H,29,33)(H,30,34).
What are the key properties of 4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide?
4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide has a molecular weight of 493.01 g/mol, XLogP of 4.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide is sourced from PubChem (CID 27157023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).