dimethyl 5-[(3-chlorobenzoyl)amino]benzene-1,3-dicarboxylate

C17H14ClNO5 — CID 681766

IUPACdimethyl 5-[(3-chlorobenzoyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2cccc(Cl)c2)cc(C(=O)OC)c1
InChIInChI=1S/C17H14ClNO5/c1-23-16(21)11-6-12(17(22)24-2)9-14(8-11)19-15(20)10-4-3-5-13(18)7-10/h3-9H,1-2H3,(H,19,20)
InChIKeySFEYQTDUCMRJGB-UHFFFAOYSA-N
MW347.75 g/mol
LogP3.17
Rot. Bonds4

About dimethyl 5-[(3-chlorobenzoyl)amino]benzene-1,3-dicarboxylate

dimethyl 5-[(3-chlorobenzoyl)amino]benzene-1,3-dicarboxylate (PubChem CID 681766) has the molecular formula C17H14ClNO5 and a molecular weight of 347.75 g/mol. Its IUPAC name is dimethyl 5-[(3-chlorobenzoyl)amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(3-chlorobenzoyl)amino]benzene-1,3-dicarboxylate
PubChem CID681766
Molecular FormulaC17H14ClNO5
Molecular Weight347.75 g/mol
Exact Mass347.06
IUPAC Namedimethyl 5-[(3-chlorobenzoyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2cccc(Cl)c2)cc(C(=O)OC)c1
InChIInChI=1S/C17H14ClNO5/c1-23-16(21)11-6-12(17(22)24-2)9-14(8-11)19-15(20)10-4-3-5-13(18)7-10/h3-9H,1-2H3,(H,19,20)
InChIKeySFEYQTDUCMRJGB-UHFFFAOYSA-N
XLogP3.17
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.75
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 3-{[(4-chloroanilino)carbonyl]amino}benzoate
CID 2806336
Methyl 3-[(2-chlorobenzoyl)carbamoylamino]benzoate
CID 2806346
Methyl 3-benzamidobenzoate
CID 730618
Dimethyl 5-[(3-fluorobenzoyl)amino]isophthalate
CID 875384
2-(2-Chlorophenyl)-2-oxoethyl 3-(acetylamino)benzoate
CID 902717
4-{[4-Chloro-3-(ethoxycarbonyl)phenyl]amino}-4-oxo-2-butenoic acid
CID 2177557
Dimethyl 5-[(2-fluorobenzoyl)amino]isophthalate
CID 310566
Dimethyl 5-[(pentafluorobenzoyl)amino]isophthalate
CID 2169568
Methyl 3-[(4-chlorobenzoyl)carbamoylamino]benzoate
CID 2806347
6-({[3,5-Bis(methoxycarbonyl)phenyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
CID 2932721
Methyl 3-(acetylamino)-4-chlorobenzoate
CID 820781
Methyl 3-(3-phenylpropanoylamino)benzoate
CID 2072960

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(3-chlorobenzoyl)amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[(3-chlorobenzoyl)amino]benzene-1,3-dicarboxylate (CID 681766) is dimethyl 5-[(3-chlorobenzoyl)amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(3-chlorobenzoyl)amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[(3-chlorobenzoyl)amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)c2cccc(Cl)c2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[(3-chlorobenzoyl)amino]benzene-1,3-dicarboxylate?
The InChIKey is SFEYQTDUCMRJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO5/c1-23-16(21)11-6-12(17(22)24-2)9-14(8-11)19-15(20)10-4-3-5-13(18)7-10/h3-9H,1-2H3,(H,19,20).
What are the key properties of dimethyl 5-[(3-chlorobenzoyl)amino]benzene-1,3-dicarboxylate?
dimethyl 5-[(3-chlorobenzoyl)amino]benzene-1,3-dicarboxylate has a molecular weight of 347.75 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(3-chlorobenzoyl)amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 681766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).