methyl 4-chloro-3-[[4-(3-chlorophenyl)-4-oxobutanoyl]amino]benzoate

C18H15Cl2NO4 — CID 110424495

IUPACmethyl 4-chloro-3-[[4-(3-chlorophenyl)-4-oxobutanoyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)CCC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H15Cl2NO4/c1-25-18(24)12-5-6-14(20)15(10-12)21-17(23)8-7-16(22)11-3-2-4-13(19)9-11/h2-6,9-10H,7-8H2,1H3,(H,21,23)
InChIKeySKYXSPADKYRLOX-UHFFFAOYSA-N
MW380.23 g/mol
LogP4.38
Rot. Bonds6

About methyl 4-chloro-3-[[4-(3-chlorophenyl)-4-oxobutanoyl]amino]benzoate

methyl 4-chloro-3-[[4-(3-chlorophenyl)-4-oxobutanoyl]amino]benzoate (PubChem CID 110424495) has the molecular formula C18H15Cl2NO4 and a molecular weight of 380.23 g/mol. Its IUPAC name is methyl 4-chloro-3-[[4-(3-chlorophenyl)-4-oxobutanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[4-(3-chlorophenyl)-4-oxobutanoyl]amino]benzoate
PubChem CID110424495
Molecular FormulaC18H15Cl2NO4
Molecular Weight380.23 g/mol
Exact Mass379.04
IUPAC Namemethyl 4-chloro-3-[[4-(3-chlorophenyl)-4-oxobutanoyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)CCC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H15Cl2NO4/c1-25-18(24)12-5-6-14(20)15(10-12)21-17(23)8-7-16(22)11-3-2-4-13(19)9-11/h2-6,9-10H,7-8H2,1H3,(H,21,23)
InChIKeySKYXSPADKYRLOX-UHFFFAOYSA-N
XLogP4.38
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-chloro-3-[[4-(3-chlorophenyl)-4-oxobutanoyl]amino]benzoate with MolForge

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Related Compounds

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6-(2-chloro-5-methoxycarbonylanilino)-6-oxohexanoic acid
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methyl 4-chloro-3-[[2-[2-(3-chlorophenyl)ethylamino]acetyl]amino]benzoate
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methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate
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N-(5-acetyl-2-chlorophenyl)-4-(4-chlorophenyl)-4-oxobutanamide
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methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate
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methyl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-3-hydroxybenzoate
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methyl 3-[[2-(butanoylamino)acetyl]amino]-4-chlorobenzoate
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methyl 4-chloro-3-[4-(propan-2-ylamino)butanoylamino]benzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[4-(3-chlorophenyl)-4-oxobutanoyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[4-(3-chlorophenyl)-4-oxobutanoyl]amino]benzoate (CID 110424495) is methyl 4-chloro-3-[[4-(3-chlorophenyl)-4-oxobutanoyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[4-(3-chlorophenyl)-4-oxobutanoyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[4-(3-chlorophenyl)-4-oxobutanoyl]amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)CCC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of methyl 4-chloro-3-[[4-(3-chlorophenyl)-4-oxobutanoyl]amino]benzoate?
The InChIKey is SKYXSPADKYRLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO4/c1-25-18(24)12-5-6-14(20)15(10-12)21-17(23)8-7-16(22)11-3-2-4-13(19)9-11/h2-6,9-10H,7-8H2,1H3,(H,21,23).
What are the key properties of methyl 4-chloro-3-[[4-(3-chlorophenyl)-4-oxobutanoyl]amino]benzoate?
methyl 4-chloro-3-[[4-(3-chlorophenyl)-4-oxobutanoyl]amino]benzoate has a molecular weight of 380.23 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[4-(3-chlorophenyl)-4-oxobutanoyl]amino]benzoate is sourced from PubChem (CID 110424495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).