methyl 6-amino-2-[(2,4-dichlorobenzoyl)amino]-6-oxohexanoate

C14H16Cl2N2O4 — CID 54120863

IUPACmethyl 6-amino-2-[(2,4-dichlorobenzoyl)amino]-6-oxohexanoate
SMILESCOC(=O)C(CCCC(N)=O)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N2O4/c1-22-14(21)11(3-2-4-12(17)19)18-13(20)9-6-5-8(15)7-10(9)16/h5-7,11H,2-4H2,1H3,(H2,17,19)(H,18,20)
InChIKeyOCBNROLTATZQFL-UHFFFAOYSA-N
MW347.20 g/mol
LogP1.92
Rot. Bonds7

About methyl 6-amino-2-[(2,4-dichlorobenzoyl)amino]-6-oxohexanoate

methyl 6-amino-2-[(2,4-dichlorobenzoyl)amino]-6-oxohexanoate (PubChem CID 54120863) has the molecular formula C14H16Cl2N2O4 and a molecular weight of 347.20 g/mol. Its IUPAC name is methyl 6-amino-2-[(2,4-dichlorobenzoyl)amino]-6-oxohexanoate.

Molecular Properties

Compound Namemethyl 6-amino-2-[(2,4-dichlorobenzoyl)amino]-6-oxohexanoate
PubChem CID54120863
Molecular FormulaC14H16Cl2N2O4
Molecular Weight347.20 g/mol
Exact Mass346.05
IUPAC Namemethyl 6-amino-2-[(2,4-dichlorobenzoyl)amino]-6-oxohexanoate
SMILESCOC(=O)C(CCCC(N)=O)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N2O4/c1-22-14(21)11(3-2-4-12(17)19)18-13(20)9-6-5-8(15)7-10(9)16/h5-7,11H,2-4H2,1H3,(H2,17,19)(H,18,20)
InChIKeyOCBNROLTATZQFL-UHFFFAOYSA-N
XLogP1.92
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-2-[(2,5-dichlorobenzoyl)amino]-6-oxohexanoic acid
CID 54245496
2-[(2,4-dichlorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780716
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 40804285
3-(3-amino-3-oxopropyl)sulfanyl-2-[(2,4-dichlorobenzoyl)amino]propanoic acid
CID 110189772
2,4-dichloro-N-[1-(methoxyamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 51279322
cyanomethyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate
CID 7982784
methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-hydroxypropanoate
CID 43405857
(2S)-5-amino-2-[(5-chloro-2-methoxybenzoyl)amino]-5-oxopentanoic acid
CID 29054204
2,4-dichloro-N-(5-chloropentan-2-yl)benzamide
CID 114305887
dimethyl (2S)-2-[(4-chlorobenzoyl)amino]pentanedioate
CID 52694056
2,4-dichloro-N-(4-chlorobutan-2-yl)benzamide
CID 83178224
methyl 2-[(2,4-dichlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 3111811

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-2-[(2,4-dichlorobenzoyl)amino]-6-oxohexanoate?
The IUPAC name of methyl 6-amino-2-[(2,4-dichlorobenzoyl)amino]-6-oxohexanoate (CID 54120863) is methyl 6-amino-2-[(2,4-dichlorobenzoyl)amino]-6-oxohexanoate.
What is the SMILES notation for methyl 6-amino-2-[(2,4-dichlorobenzoyl)amino]-6-oxohexanoate?
The canonical SMILES for methyl 6-amino-2-[(2,4-dichlorobenzoyl)amino]-6-oxohexanoate is COC(=O)C(CCCC(N)=O)NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 6-amino-2-[(2,4-dichlorobenzoyl)amino]-6-oxohexanoate?
The InChIKey is OCBNROLTATZQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O4/c1-22-14(21)11(3-2-4-12(17)19)18-13(20)9-6-5-8(15)7-10(9)16/h5-7,11H,2-4H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of methyl 6-amino-2-[(2,4-dichlorobenzoyl)amino]-6-oxohexanoate?
methyl 6-amino-2-[(2,4-dichlorobenzoyl)amino]-6-oxohexanoate has a molecular weight of 347.20 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-2-[(2,4-dichlorobenzoyl)amino]-6-oxohexanoate is sourced from PubChem (CID 54120863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).