2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide

C22H25ClN4O2 — CID 8704585

IUPAC2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide
SMILESO=C(CN1CCN(c2ccccc2Cl)CC1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C22H25ClN4O2/c23-18-6-2-4-8-20(18)27-13-11-26(12-14-27)15-21(28)25-19-7-3-1-5-17(19)22(29)24-16-9-10-16/h1-8,16H,9-15H2,(H,24,29)(H,25,28)
InChIKeyZLJXZUQNLXUAFT-UHFFFAOYSA-N
MW412.92 g/mol
LogP2.99
Rot. Bonds6

About 2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide

2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide (PubChem CID 8704585) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide
PubChem CID8704585
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide
SMILESO=C(CN1CCN(c2ccccc2Cl)CC1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C22H25ClN4O2/c23-18-6-2-4-8-20(18)27-13-11-26(12-14-27)15-21(28)25-19-7-3-1-5-17(19)22(29)24-16-9-10-16/h1-8,16H,9-15H2,(H,24,29)(H,25,28)
InChIKeyZLJXZUQNLXUAFT-UHFFFAOYSA-N
XLogP2.99
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 2608315
N-cyclopentyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide
CID 8688467
1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530807
N-cyclopropyl-2-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 2697520
methyl 2-(4-chlorophenyl)-2-[4-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperazin-1-yl]acetate
CID 46444215
N-cyclopropyl-2-[[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 55841828
N-cyclopentyl-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 34734655
2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 55411004
N-(2,3-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 2654826
2-[3-(azocan-1-yl)propanoylamino]-N-cyclopropylbenzamide
CID 24588779
N-cyclopropyl-2-[[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzamide
CID 17480349
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 51159910

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide (CID 8704585) is 2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide is O=C(CN1CCN(c2ccccc2Cl)CC1)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of 2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide?
The InChIKey is ZLJXZUQNLXUAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c23-18-6-2-4-8-20(18)27-13-11-26(12-14-27)15-21(28)25-19-7-3-1-5-17(19)22(29)24-16-9-10-16/h1-8,16H,9-15H2,(H,24,29)(H,25,28).
What are the key properties of 2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide?
2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide has a molecular weight of 412.92 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 8704585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).