N-(3-acetylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide

C20H22ClN3O3 — CID 9104932

IUPACN-(3-acetylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide
SMILESCC(=O)c1cccc(NC(=O)CNc2cc(Cl)ccc2N2CCOCC2)c1
InChIInChI=1S/C20H22ClN3O3/c1-14(25)15-3-2-4-17(11-15)23-20(26)13-22-18-12-16(21)5-6-19(18)24-7-9-27-10-8-24/h2-6,11-12,22H,7-10,13H2,1H3,(H,23,26)
InChIKeySKWJAGCYRVABKE-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.43
Rot. Bonds6

About N-(3-acetylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide

N-(3-acetylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide (PubChem CID 9104932) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide
PubChem CID9104932
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC NameN-(3-acetylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide
SMILESCC(=O)c1cccc(NC(=O)CNc2cc(Cl)ccc2N2CCOCC2)c1
InChIInChI=1S/C20H22ClN3O3/c1-14(25)15-3-2-4-17(11-15)23-20(26)13-22-18-12-16(21)5-6-19(18)24-7-9-27-10-8-24/h2-6,11-12,22H,7-10,13H2,1H3,(H,23,26)
InChIKeySKWJAGCYRVABKE-UHFFFAOYSA-N
XLogP3.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-2-morpholin-4-ylanilino)-N-(3,4-difluorophenyl)acetamide
CID 7922878
N-(5-chloro-2-methylphenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109008560
2-(2,4-dichloroanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54810917
N-(4-bromo-2-methylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide
CID 26439639
2-(5-chloro-2-morpholin-4-ylanilino)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55365315
N-(3-acetylphenyl)-2-(4-chloroanilino)acetamide
CID 26506544
2-(5-chloro-2-methoxyanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 99144350
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755
2-(5-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 51199571
2-[2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 24981722
N-(3-acetylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998163
N-(3-acetylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 42069766

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide (CID 9104932) is N-(3-acetylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide is CC(=O)c1cccc(NC(=O)CNc2cc(Cl)ccc2N2CCOCC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide?
The InChIKey is SKWJAGCYRVABKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-14(25)15-3-2-4-17(11-15)23-20(26)13-22-18-12-16(21)5-6-19(18)24-7-9-27-10-8-24/h2-6,11-12,22H,7-10,13H2,1H3,(H,23,26).
What are the key properties of N-(3-acetylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide?
N-(3-acetylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide has a molecular weight of 387.87 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide is sourced from PubChem (CID 9104932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).