2-(4-chloro-2-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide

C20H21ClN2O4 — CID 4933055

IUPAC2-(4-chloro-2-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C20H21ClN2O4/c1-14-12-15(21)6-7-18(14)27-13-19(24)22-17-5-3-2-4-16(17)20(25)23-8-10-26-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,22,24)
InChIKeyBCLVMCRJVRVTMR-UHFFFAOYSA-N
MW388.85 g/mol
LogP3.14
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide (PubChem CID 4933055) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
PubChem CID4933055
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C20H21ClN2O4/c1-14-12-15(21)6-7-18(14)27-13-19(24)22-17-5-3-2-4-16(17)20(25)23-8-10-26-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,22,24)
InChIKeyBCLVMCRJVRVTMR-UHFFFAOYSA-N
XLogP3.14
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-(phenylcarbonyl)phenoxy)-N-phenylacetamide
CID 465669
2-{[(4-Chlorophenoxy)acetyl]amino}benzoic acid
CID 708990
(3-Chloro-4-fluorophenyl)-[4-[[2-[3-(dimethylamino)phenoxy]ethylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 132247311
N-[3-[2-[[1-(3-chloro-4-fluorobenzoyl)-4-fluoropiperidin-4-yl]methylamino]ethoxy]phenyl]acetamide
CID 132247312
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[3-(methylamino)phenoxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132256760
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[2-(methylamino)phenoxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132257265
4-Methoxy-N-[2-(morpholine-4-carbonyl)-phenyl]-benzamide
CID 727270
2-{[(4-Chloro-2-methylphenoxy)acetyl]amino}benzoic acid
CID 839534
N-[4-(7-Chloro-2,3,4,5-tetrahydro-benzo[b]azepine-1-carbonyl)-3-methyl-phenyl]-2-o-tolyloxy-acetamide
CID 44357890
N-[4-chloro-2-(1-piperidinylcarbonyl)phenyl]-2-furamide
CID 891930
N-cyclopropyl-2-[(2-phenoxyacetyl)amino]benzamide
CID 8700142
5-Chloro-2-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxybenzamide
CID 16296651

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide (CID 4933055) is 2-(4-chloro-2-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1C(=O)N1CCOCC1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
The InChIKey is BCLVMCRJVRVTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c1-14-12-15(21)6-7-18(14)27-13-19(24)22-17-5-3-2-4-16(17)20(25)23-8-10-26-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,22,24).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide has a molecular weight of 388.85 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 4933055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).