methyl 2-hydroxy-5-[(4-methylbenzoyl)amino]benzoate

C16H15NO4 — CID 838131

IUPACmethyl 2-hydroxy-5-[(4-methylbenzoyl)amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2ccc(C)cc2)ccc1O
InChIInChI=1S/C16H15NO4/c1-10-3-5-11(6-4-10)15(19)17-12-7-8-14(18)13(9-12)16(20)21-2/h3-9,18H,1-2H3,(H,17,19)
InChIKeyFFBYFRVCCNNQRS-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.74
Rot. Bonds3

About methyl 2-hydroxy-5-[(4-methylbenzoyl)amino]benzoate

methyl 2-hydroxy-5-[(4-methylbenzoyl)amino]benzoate (PubChem CID 838131) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 2-hydroxy-5-[(4-methylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-5-[(4-methylbenzoyl)amino]benzoate
PubChem CID838131
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Namemethyl 2-hydroxy-5-[(4-methylbenzoyl)amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2ccc(C)cc2)ccc1O
InChIInChI=1S/C16H15NO4/c1-10-3-5-11(6-4-10)15(19)17-12-7-8-14(18)13(9-12)16(20)21-2/h3-9,18H,1-2H3,(H,17,19)
InChIKeyFFBYFRVCCNNQRS-UHFFFAOYSA-N
XLogP2.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-methoxycarbonyl-2-methyl-5-[(4-methylbenzoyl)amino]benzoic acid
CID 141031699
N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 837218
methyl 5-[[4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzoyl]amino]-2-hydroxybenzoate
CID 142680082
2-methoxy-4-[(4-methylbenzoyl)amino]benzoic acid
CID 107208693
dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
CID 143860036
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
2,4-bis[(4-methylbenzoyl)amino]benzoic acid
CID 161042789
2-hydroxy-5-[(4-methylsulfanylbenzoyl)amino]benzoic acid
CID 43353119
methyl 2-chloro-5-[[4-(methoxymethyl)benzoyl]amino]benzoate
CID 38239113
methyl 4-[[4-[(4-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 3353390
methyl 2-chloro-5-[[3-chloro-4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 46770674

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-5-[(4-methylbenzoyl)amino]benzoate?
The IUPAC name of methyl 2-hydroxy-5-[(4-methylbenzoyl)amino]benzoate (CID 838131) is methyl 2-hydroxy-5-[(4-methylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 2-hydroxy-5-[(4-methylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 2-hydroxy-5-[(4-methylbenzoyl)amino]benzoate is COC(=O)c1cc(NC(=O)c2ccc(C)cc2)ccc1O.
What is the InChIKey of methyl 2-hydroxy-5-[(4-methylbenzoyl)amino]benzoate?
The InChIKey is FFBYFRVCCNNQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-10-3-5-11(6-4-10)15(19)17-12-7-8-14(18)13(9-12)16(20)21-2/h3-9,18H,1-2H3,(H,17,19).
What are the key properties of methyl 2-hydroxy-5-[(4-methylbenzoyl)amino]benzoate?
methyl 2-hydroxy-5-[(4-methylbenzoyl)amino]benzoate has a molecular weight of 285.30 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-5-[(4-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 838131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).