2,4-dichloro-N-[3-methyl-1-[2-(3-methylmorpholin-4-yl)propylamino]-1-oxobutan-2-yl]benzamide

C20H29Cl2N3O3 — CID 86941061

IUPAC2,4-dichloro-N-[3-methyl-1-[2-(3-methylmorpholin-4-yl)propylamino]-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCC(C)N1CCOCC1C
InChIInChI=1S/C20H29Cl2N3O3/c1-12(2)18(24-19(26)16-6-5-15(21)9-17(16)22)20(27)23-10-13(3)25-7-8-28-11-14(25)4/h5-6,9,12-14,18H,7-8,10-11H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyQCJBKQWBYMINEA-UHFFFAOYSA-N
MW430.38 g/mol
LogP2.97
Rot. Bonds7

About 2,4-dichloro-N-[3-methyl-1-[2-(3-methylmorpholin-4-yl)propylamino]-1-oxobutan-2-yl]benzamide

2,4-dichloro-N-[3-methyl-1-[2-(3-methylmorpholin-4-yl)propylamino]-1-oxobutan-2-yl]benzamide (PubChem CID 86941061) has the molecular formula C20H29Cl2N3O3 and a molecular weight of 430.38 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-methyl-1-[2-(3-methylmorpholin-4-yl)propylamino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-methyl-1-[2-(3-methylmorpholin-4-yl)propylamino]-1-oxobutan-2-yl]benzamide
PubChem CID86941061
Molecular FormulaC20H29Cl2N3O3
Molecular Weight430.38 g/mol
Exact Mass429.16
IUPAC Name2,4-dichloro-N-[3-methyl-1-[2-(3-methylmorpholin-4-yl)propylamino]-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCC(C)N1CCOCC1C
InChIInChI=1S/C20H29Cl2N3O3/c1-12(2)18(24-19(26)16-6-5-15(21)9-17(16)22)20(27)23-10-13(3)25-7-8-28-11-14(25)4/h5-6,9,12-14,18H,7-8,10-11H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyQCJBKQWBYMINEA-UHFFFAOYSA-N
XLogP2.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
2,4-dichloro-N-[3-methyl-1-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]benzamide
CID 24619933
(3R)-3-(4-chlorophenyl)-3-hydroxy-N-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]propanamide
CID 129423990
2,4-dichloro-N-[(2R)-1-[(1-ethylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 42014895
N-[1-(2-benzamidoethylamino)-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide
CID 134046490
2,4-dichloro-N-[1-[(3-methyl-2-morpholin-4-ylbutyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 55519192
2,4-dichloro-N-[(2S)-1-[2-(furan-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 24542551
2-(difluoromethoxy)-4-fluoro-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]benzamide
CID 96528871
2,4-dichloro-N-[1-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 42908907
2,4-dichloro-N-[3-methyl-1-oxo-1-[(1-prop-2-enylpiperidin-4-yl)amino]butan-2-yl]benzamide
CID 86894333
3-methyl-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-2-nitrobenzamide
CID 95339521

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-methyl-1-[2-(3-methylmorpholin-4-yl)propylamino]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-methyl-1-[2-(3-methylmorpholin-4-yl)propylamino]-1-oxobutan-2-yl]benzamide (CID 86941061) is 2,4-dichloro-N-[3-methyl-1-[2-(3-methylmorpholin-4-yl)propylamino]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-methyl-1-[2-(3-methylmorpholin-4-yl)propylamino]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-methyl-1-[2-(3-methylmorpholin-4-yl)propylamino]-1-oxobutan-2-yl]benzamide is CC(C)C(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCC(C)N1CCOCC1C.
What is the InChIKey of 2,4-dichloro-N-[3-methyl-1-[2-(3-methylmorpholin-4-yl)propylamino]-1-oxobutan-2-yl]benzamide?
The InChIKey is QCJBKQWBYMINEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29Cl2N3O3/c1-12(2)18(24-19(26)16-6-5-15(21)9-17(16)22)20(27)23-10-13(3)25-7-8-28-11-14(25)4/h5-6,9,12-14,18H,7-8,10-11H2,1-4H3,(H,23,27)(H,24,26).
What are the key properties of 2,4-dichloro-N-[3-methyl-1-[2-(3-methylmorpholin-4-yl)propylamino]-1-oxobutan-2-yl]benzamide?
2,4-dichloro-N-[3-methyl-1-[2-(3-methylmorpholin-4-yl)propylamino]-1-oxobutan-2-yl]benzamide has a molecular weight of 430.38 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-methyl-1-[2-(3-methylmorpholin-4-yl)propylamino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 86941061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).