N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-morpholin-4-yl-4-oxobutanamide

C16H19Cl2N3O4 — CID 9440403

IUPACN-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-morpholin-4-yl-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCOCC1)NCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H19Cl2N3O4/c17-11-1-2-12(18)13(9-11)20-15(23)10-19-14(22)3-4-16(24)21-5-7-25-8-6-21/h1-2,9H,3-8,10H2,(H,19,22)(H,20,23)
InChIKeyKXHWVTLDYHALHS-UHFFFAOYSA-N
MW388.25 g/mol
LogP1.69
Rot. Bonds6

About N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-morpholin-4-yl-4-oxobutanamide

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 9440403) has the molecular formula C16H19Cl2N3O4 and a molecular weight of 388.25 g/mol. Its IUPAC name is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-morpholin-4-yl-4-oxobutanamide
PubChem CID9440403
Molecular FormulaC16H19Cl2N3O4
Molecular Weight388.25 g/mol
Exact Mass387.08
IUPAC NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-morpholin-4-yl-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCOCC1)NCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H19Cl2N3O4/c17-11-1-2-12(18)13(9-11)20-15(23)10-19-14(22)3-4-16(24)21-5-7-25-8-6-21/h1-2,9H,3-8,10H2,(H,19,22)(H,20,23)
InChIKeyKXHWVTLDYHALHS-UHFFFAOYSA-N
XLogP1.69
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 6456922
N-(2,5-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105995
4-(2,5-dichloroanilino)-2-morpholin-4-yl-4-oxobutanoic acid
CID 3377027
1-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119683786
N-(2,5-dichlorophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045546
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride
CID 119683791
N-(2,5-dichlorophenyl)-2-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]-propylamino]acetamide
CID 55328616
N-(5-chloro-2-methylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711369
N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 119422749
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-phenylacetamide
CID 2449630
N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide;hydrochloride
CID 119422748
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide
CID 47097183

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-morpholin-4-yl-4-oxobutanamide (CID 9440403) is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-morpholin-4-yl-4-oxobutanamide is O=C(CCC(=O)N1CCOCC1)NCC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is KXHWVTLDYHALHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O4/c17-11-1-2-12(18)13(9-11)20-15(23)10-19-14(22)3-4-16(24)21-5-7-25-8-6-21/h1-2,9H,3-8,10H2,(H,19,22)(H,20,23).
What are the key properties of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-morpholin-4-yl-4-oxobutanamide?
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 388.25 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 9440403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).