2-(2-chlorophenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide

C20H22ClN3O3 — CID 4943677

IUPAC2-(2-chlorophenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCN1CCN(C(=O)c2ccccc2NC(=O)COc2ccccc2Cl)CC1
InChIInChI=1S/C20H22ClN3O3/c1-23-10-12-24(13-11-23)20(26)15-6-2-4-8-17(15)22-19(25)14-27-18-9-5-3-7-16(18)21/h2-9H,10-14H2,1H3,(H,22,25)
InChIKeyQIQSBEXXAQEMBM-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.75
Rot. Bonds5

About 2-(2-chlorophenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide

2-(2-chlorophenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide (PubChem CID 4943677) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
PubChem CID4943677
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name2-(2-chlorophenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCN1CCN(C(=O)c2ccccc2NC(=O)COc2ccccc2Cl)CC1
InChIInChI=1S/C20H22ClN3O3/c1-23-10-12-24(13-11-23)20(26)15-6-2-4-8-17(15)22-19(25)14-27-18-9-5-3-7-16(18)21/h2-9H,10-14H2,1H3,(H,22,25)
InChIKeyQIQSBEXXAQEMBM-UHFFFAOYSA-N
XLogP2.75
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[2-(methylamino)phenoxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132257265
Methyl 3-[2-(2-chlorophenoxy)acetylamino]-4-(4-methylpiperazinyl)benzoate
CID 6456890
4-chloro-N-[4-(2-ethoxyanilino)-4-oxobutyl]benzamide
CID 4857924
N-cyclopropyl-2-[(2-phenoxyacetyl)amino]benzamide
CID 8700142
2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N-cyclopropylbenzamide
CID 24817925
2-Chloro-4,5-difluoro-N-[4-(2-morpholin-4-yl-2-oxo-ethoxy)-phenyl]-benzamide
CID 600466
Ethyl 4-[(2-{[(2-methylphenoxy)acetyl]amino}phenyl)carbonyl]piperazine-1-carboxylate
CID 2920163
N-(3-chloro-4-methoxyphenyl)-3-(2-methoxyethyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
CID 15995157
2-(2-p-Tolyloxy-acetylamino)-benzamide
CID 759059
2-[(4-methoxybenzoyl)amino]-N-[2-(4-morpholinyl)ethyl]benzamide
CID 1316451
Propyl 3-{[(2-chlorophenoxy)acetyl]amino}benzoate
CID 1563240
4-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 2741842

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide (CID 4943677) is 2-(2-chlorophenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide is CN1CCN(C(=O)c2ccccc2NC(=O)COc2ccccc2Cl)CC1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
The InChIKey is QIQSBEXXAQEMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-23-10-12-24(13-11-23)20(26)15-6-2-4-8-17(15)22-19(25)14-27-18-9-5-3-7-16(18)21/h2-9H,10-14H2,1H3,(H,22,25).
What are the key properties of 2-(2-chlorophenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
2-(2-chlorophenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide has a molecular weight of 387.87 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 4943677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).