2,4-dichloro-N-[3-methyl-1-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]benzamide

C23H29Cl2N3O4 — CID 24619933

IUPAC2,4-dichloro-N-[3-methyl-1-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]benzamide
SMILESCc1ccc(C(CNC(=O)C(NC(=O)c2ccc(Cl)cc2Cl)C(C)C)N2CCOCC2)o1
InChIInChI=1S/C23H29Cl2N3O4/c1-14(2)21(27-22(29)17-6-5-16(24)12-18(17)25)23(30)26-13-19(20-7-4-15(3)32-20)28-8-10-31-11-9-28/h4-7,12,14,19,21H,8-11,13H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyAZDPRLQDYLQIDC-UHFFFAOYSA-N
MW482.41 g/mol
LogP3.84
Rot. Bonds8

About 2,4-dichloro-N-[3-methyl-1-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]benzamide

2,4-dichloro-N-[3-methyl-1-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]benzamide (PubChem CID 24619933) has the molecular formula C23H29Cl2N3O4 and a molecular weight of 482.41 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-methyl-1-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-methyl-1-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]benzamide
PubChem CID24619933
Molecular FormulaC23H29Cl2N3O4
Molecular Weight482.41 g/mol
Exact Mass481.15
IUPAC Name2,4-dichloro-N-[3-methyl-1-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]benzamide
SMILESCc1ccc(C(CNC(=O)C(NC(=O)c2ccc(Cl)cc2Cl)C(C)C)N2CCOCC2)o1
InChIInChI=1S/C23H29Cl2N3O4/c1-14(2)21(27-22(29)17-6-5-16(24)12-18(17)25)23(30)26-13-19(20-7-4-15(3)32-20)28-8-10-31-11-9-28/h4-7,12,14,19,21H,8-11,13H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyAZDPRLQDYLQIDC-UHFFFAOYSA-N
XLogP3.84
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-[(2R)-3-methyl-1-[[(2S)-3-methyl-2-morpholin-4-ylbutyl]amino]-1-oxobutan-2-yl]benzamide
CID 25497257
2,4-dichloro-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-2-morpholin-4-ylbutyl]amino]-1-oxobutan-2-yl]benzamide
CID 25497250
2,5-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18168876
2,4-dichloro-N-[3-methyl-1-[2-(3-methylmorpholin-4-yl)propylamino]-1-oxobutan-2-yl]benzamide
CID 86941061
2-(5-chloro-2-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 24643794
N-[1-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 55609869
N-[(2S)-1-[[(2R)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 52508548
N-[(2R)-1-[[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 52508551
2-(2,5-dichlorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 18164234
2,3-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18168875
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 51283060
2,4-dichloro-N-(2-morpholin-4-yl-2-phenylethyl)benzamide
CID 46578639

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-methyl-1-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-methyl-1-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]benzamide (CID 24619933) is 2,4-dichloro-N-[3-methyl-1-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-methyl-1-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-methyl-1-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]benzamide is Cc1ccc(C(CNC(=O)C(NC(=O)c2ccc(Cl)cc2Cl)C(C)C)N2CCOCC2)o1.
What is the InChIKey of 2,4-dichloro-N-[3-methyl-1-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]benzamide?
The InChIKey is AZDPRLQDYLQIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29Cl2N3O4/c1-14(2)21(27-22(29)17-6-5-16(24)12-18(17)25)23(30)26-13-19(20-7-4-15(3)32-20)28-8-10-31-11-9-28/h4-7,12,14,19,21H,8-11,13H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 2,4-dichloro-N-[3-methyl-1-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]benzamide?
2,4-dichloro-N-[3-methyl-1-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]benzamide has a molecular weight of 482.41 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-methyl-1-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 24619933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).