methyl 4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzoate

C16H14N2O5 — CID 27693462

IUPACmethyl 4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C16H14N2O5/c1-23-16(22)11-8-6-10(7-9-11)14(20)17-18-15(21)12-4-2-3-5-13(12)19/h2-9,19H,1H3,(H,17,20)(H,18,21)
InChIKeyWTVGIFPGAPVJGZ-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.25
Rot. Bonds3

About methyl 4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzoate

methyl 4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzoate (PubChem CID 27693462) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is methyl 4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzoate
PubChem CID27693462
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC Namemethyl 4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2O)cc1
InChIInChI=1S/C16H14N2O5/c1-23-16(22)11-8-6-10(7-9-11)14(20)17-18-15(21)12-4-2-3-5-13(12)19/h2-9,19H,1H3,(H,17,20)(H,18,21)
InChIKeyWTVGIFPGAPVJGZ-UHFFFAOYSA-N
XLogP1.25
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N'-[4-(methoxymethyl)benzoyl]benzohydrazide
CID 51219078
methyl 4-[(1H-indole-3-carbonylamino)carbamoyl]benzoate
CID 30455774
methyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178306
2-hydroxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 27693938
N'-(4-hexoxybenzoyl)-2-hydroxybenzohydrazide
CID 5223816
methyl 4-[(bromoamino)carbamoyl]benzoate
CID 174504364
2-hydroxy-N'-(4-hydroxybenzenecarbothioyl)benzohydrazide
CID 135992560
methyl 3-(benzamidocarbamoyl)benzoate
CID 17175438
lithium;hydride;methyl 2-hydroxybenzoate
CID 173284844
sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756
methyl 4-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]carbamoyl]benzoate
CID 40714036
3-hydroxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide
CID 806093

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzoate (CID 27693462) is methyl 4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)NNC(=O)c2ccccc2O)cc1.
What is the InChIKey of methyl 4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzoate?
The InChIKey is WTVGIFPGAPVJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5/c1-23-16(22)11-8-6-10(7-9-11)14(20)17-18-15(21)12-4-2-3-5-13(12)19/h2-9,19H,1H3,(H,17,20)(H,18,21).
What are the key properties of methyl 4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzoate?
methyl 4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzoate has a molecular weight of 314.30 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzoate is sourced from PubChem (CID 27693462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).