N-(3-chloro-2-methylphenyl)-2-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]acetamide

C22H24ClFN4O3 — CID 24659733

IUPACN-(3-chloro-2-methylphenyl)-2-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C22H24ClFN4O3/c1-15-17(23)6-4-8-19(15)26-20(29)13-25-21(30)14-27-9-11-28(12-10-27)22(31)16-5-2-3-7-18(16)24/h2-8H,9-14H2,1H3,(H,25,30)(H,26,29)
InChIKeyNAQYXZLRIQPFDV-UHFFFAOYSA-N
MW446.91 g/mol
LogP2.30
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-2-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]acetamide

N-(3-chloro-2-methylphenyl)-2-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]acetamide (PubChem CID 24659733) has the molecular formula C22H24ClFN4O3 and a molecular weight of 446.91 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]acetamide
PubChem CID24659733
Molecular FormulaC22H24ClFN4O3
Molecular Weight446.91 g/mol
Exact Mass446.15
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C22H24ClFN4O3/c1-15-17(23)6-4-8-19(15)26-20(29)13-25-21(30)14-27-9-11-28(12-10-27)22(31)16-5-2-3-7-18(16)24/h2-8H,9-14H2,1H3,(H,25,30)(H,26,29)
InChIKeyNAQYXZLRIQPFDV-UHFFFAOYSA-N
XLogP2.30
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.91
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 15999180
4-[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 37194189
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 30776742
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 24674491
N-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 22199009
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 24659758
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-propoxyphenyl)acetamide
CID 24674493
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 30704409
N-(3-chloro-2-methylphenyl)-2-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]acetamide
CID 43065952
N-(3-chloro-2-methylphenyl)-2-(2-fluoroanilino)acetamide
CID 2604427
2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 9033863
2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 8902404

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]acetamide (CID 24659733) is N-(3-chloro-2-methylphenyl)-2-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]acetamide is Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]acetamide?
The InChIKey is NAQYXZLRIQPFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN4O3/c1-15-17(23)6-4-8-19(15)26-20(29)13-25-21(30)14-27-9-11-28(12-10-27)22(31)16-5-2-3-7-18(16)24/h2-8H,9-14H2,1H3,(H,25,30)(H,26,29).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]acetamide?
N-(3-chloro-2-methylphenyl)-2-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]acetamide has a molecular weight of 446.91 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]acetamide is sourced from PubChem (CID 24659733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).