methyl 2-(N-carbamoyl-5-chloro-2-methoxyanilino)benzoate

C16H15ClN2O4 — CID 139838408

IUPACmethyl 2-(N-carbamoyl-5-chloro-2-methoxyanilino)benzoate
SMILESCOC(=O)c1ccccc1N(C(N)=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C16H15ClN2O4/c1-22-14-8-7-10(17)9-13(14)19(16(18)21)12-6-4-3-5-11(12)15(20)23-2/h3-9H,1-2H3,(H2,18,21)
InChIKeyHIGGUFCXHGWMDV-UHFFFAOYSA-N
MW334.76 g/mol
LogP3.35
Rot. Bonds4

About methyl 2-(N-carbamoyl-5-chloro-2-methoxyanilino)benzoate

methyl 2-(N-carbamoyl-5-chloro-2-methoxyanilino)benzoate (PubChem CID 139838408) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is methyl 2-(N-carbamoyl-5-chloro-2-methoxyanilino)benzoate.

Molecular Properties

Compound Namemethyl 2-(N-carbamoyl-5-chloro-2-methoxyanilino)benzoate
PubChem CID139838408
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Namemethyl 2-(N-carbamoyl-5-chloro-2-methoxyanilino)benzoate
SMILESCOC(=O)c1ccccc1N(C(N)=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C16H15ClN2O4/c1-22-14-8-7-10(17)9-13(14)19(16(18)21)12-6-4-3-5-11(12)15(20)23-2/h3-9H,1-2H3,(H2,18,21)
InChIKeyHIGGUFCXHGWMDV-UHFFFAOYSA-N
XLogP3.35
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[acetyl-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]benzoate
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N-(5-chloro-2-methoxyphenyl)-N-methylcarbamoyl chloride
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2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
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1-(2-benzoylphenyl)-1-(5-chloro-2-hydroxyphenyl)urea
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N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylbenzamide
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methyl 2-[chloro(methoxy)amino]benzoate
CID 153305529
(4-chloro-2-methoxyphenyl) carbamate
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2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide
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ethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-(N-carbamoyl-5-chloro-2-methoxyanilino)benzoate?
The IUPAC name of methyl 2-(N-carbamoyl-5-chloro-2-methoxyanilino)benzoate (CID 139838408) is methyl 2-(N-carbamoyl-5-chloro-2-methoxyanilino)benzoate.
What is the SMILES notation for methyl 2-(N-carbamoyl-5-chloro-2-methoxyanilino)benzoate?
The canonical SMILES for methyl 2-(N-carbamoyl-5-chloro-2-methoxyanilino)benzoate is COC(=O)c1ccccc1N(C(N)=O)c1cc(Cl)ccc1OC.
What is the InChIKey of methyl 2-(N-carbamoyl-5-chloro-2-methoxyanilino)benzoate?
The InChIKey is HIGGUFCXHGWMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-22-14-8-7-10(17)9-13(14)19(16(18)21)12-6-4-3-5-11(12)15(20)23-2/h3-9H,1-2H3,(H2,18,21).
What are the key properties of methyl 2-(N-carbamoyl-5-chloro-2-methoxyanilino)benzoate?
methyl 2-(N-carbamoyl-5-chloro-2-methoxyanilino)benzoate has a molecular weight of 334.76 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N-carbamoyl-5-chloro-2-methoxyanilino)benzoate is sourced from PubChem (CID 139838408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).