methyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate

C16H15ClN2O4 — CID 108991935

IUPACmethyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C16H15ClN2O4/c1-22-14-8-7-10(9-12(14)17)18-16(21)19-13-6-4-3-5-11(13)15(20)23-2/h3-9H,1-2H3,(H2,18,19,21)
InChIKeyOXBPBOSUIWUEPZ-UHFFFAOYSA-N
MW334.76 g/mol
LogP3.78
Rot. Bonds4

About methyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate

methyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate (PubChem CID 108991935) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is methyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate
PubChem CID108991935
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Namemethyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C16H15ClN2O4/c1-22-14-8-7-10(9-12(14)17)18-16(21)19-13-6-4-3-5-11(13)15(20)23-2/h3-9H,1-2H3,(H2,18,19,21)
InChIKeyOXBPBOSUIWUEPZ-UHFFFAOYSA-N
XLogP3.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate
CID 108991960
1-(3-chloro-4-methoxyphenyl)-3-(2-sulfanylphenyl)urea
CID 108886279
methyl 2-[[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 109038974
methyl 2-[(3,4,5-trimethoxyphenyl)carbamoylamino]benzoate
CID 17374900
ethyl 2-[[2-(3-chloro-4-methoxyanilino)-2-oxoacetyl]amino]benzoate
CID 108501132
ethyl 2-[[3-(3-chloro-4-methoxyanilino)-3-oxopropanoyl]amino]benzoate
CID 108955430
methyl 2-[(3,4-difluorophenyl)carbamoylamino]benzoate
CID 108992340
1-(4-benzoylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 56695004
methyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate
CID 12761941
N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 2185661
1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethylphenyl)urea
CID 108991326
methyl 2-[[2-(3-chloro-4-fluoroanilino)-2-oxoacetyl]amino]benzoate
CID 108512480

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate?
The IUPAC name of methyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate (CID 108991935) is methyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate.
What is the SMILES notation for methyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate?
The canonical SMILES for methyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate is COC(=O)c1ccccc1NC(=O)Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of methyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate?
The InChIKey is OXBPBOSUIWUEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-22-14-8-7-10(9-12(14)17)18-16(21)19-13-6-4-3-5-11(13)15(20)23-2/h3-9H,1-2H3,(H2,18,19,21).
What are the key properties of methyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate?
methyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate has a molecular weight of 334.76 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate is sourced from PubChem (CID 108991935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).