methyl 2-[(2-phenoxyphenyl)carbamoylamino]benzoate

C21H18N2O4 — CID 108992330

IUPACmethyl 2-[(2-phenoxyphenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C21H18N2O4/c1-26-20(24)16-11-5-6-12-17(16)22-21(25)23-18-13-7-8-14-19(18)27-15-9-3-2-4-10-15/h2-14H,1H3,(H2,22,23,25)
InChIKeyHUVIYPSYPWBMJR-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.91
Rot. Bonds5

About methyl 2-[(2-phenoxyphenyl)carbamoylamino]benzoate

methyl 2-[(2-phenoxyphenyl)carbamoylamino]benzoate (PubChem CID 108992330) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is methyl 2-[(2-phenoxyphenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-phenoxyphenyl)carbamoylamino]benzoate
PubChem CID108992330
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Namemethyl 2-[(2-phenoxyphenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C21H18N2O4/c1-26-20(24)16-11-5-6-12-17(16)22-21(25)23-18-13-7-8-14-19(18)27-15-9-3-2-4-10-15/h2-14H,1H3,(H2,22,23,25)
InChIKeyHUVIYPSYPWBMJR-UHFFFAOYSA-N
XLogP4.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(methoxymethyl)-3-(2-phenoxyphenyl)urea
CID 110676062
1-(4-fluorophenyl)-3-(2-phenoxyphenyl)urea
CID 971524
methyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate
CID 22301794
1-(2,4-difluorophenyl)-3-(2-phenoxyphenyl)urea
CID 108992692
N-(2-phenoxyphenyl)-2-phenylpropanamide
CID 2933761
methyl 2-[(3,4,5-trimethoxyphenyl)carbamoylamino]benzoate
CID 17374900
1-butyl-3-(2-phenoxyphenyl)urea
CID 604054
methyl 2-[(4-acetylphenyl)carbamoylamino]benzoate
CID 108992262
methyl 2-(thiophen-2-ylcarbamoylamino)benzoate
CID 3235857
2-chloro-N-[(2-phenoxyphenyl)carbamoyl]acetamide
CID 43328802
methyl 2-[(2-methyl-1-phenylpropan-2-yl)carbamoylamino]benzoate
CID 23963869
1-(1-methoxybutan-2-yl)-3-(2-phenoxyphenyl)urea
CID 23937340

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-phenoxyphenyl)carbamoylamino]benzoate?
The IUPAC name of methyl 2-[(2-phenoxyphenyl)carbamoylamino]benzoate (CID 108992330) is methyl 2-[(2-phenoxyphenyl)carbamoylamino]benzoate.
What is the SMILES notation for methyl 2-[(2-phenoxyphenyl)carbamoylamino]benzoate?
The canonical SMILES for methyl 2-[(2-phenoxyphenyl)carbamoylamino]benzoate is COC(=O)c1ccccc1NC(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of methyl 2-[(2-phenoxyphenyl)carbamoylamino]benzoate?
The InChIKey is HUVIYPSYPWBMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-26-20(24)16-11-5-6-12-17(16)22-21(25)23-18-13-7-8-14-19(18)27-15-9-3-2-4-10-15/h2-14H,1H3,(H2,22,23,25).
What are the key properties of methyl 2-[(2-phenoxyphenyl)carbamoylamino]benzoate?
methyl 2-[(2-phenoxyphenyl)carbamoylamino]benzoate has a molecular weight of 362.39 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-phenoxyphenyl)carbamoylamino]benzoate is sourced from PubChem (CID 108992330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).