3-carboxy-4-[(2-ethoxybenzoyl)amino]phenolate

C16H14NO5- — CID 54689492

IUPAC3-carboxy-4-[(2-ethoxybenzoyl)amino]phenolate
SMILESCCOc1ccccc1C(=O)Nc1ccc([O-])cc1C(=O)O
InChIInChI=1S/C16H15NO5/c1-2-22-14-6-4-3-5-11(14)15(19)17-13-8-7-10(18)9-12(13)16(20)21/h3-9,18H,2H2,1H3,(H,17,19)(H,20,21)/p-1
InChIKeyKDWYJMGAYIXDOR-UHFFFAOYSA-M
MW300.29 g/mol
LogP2.11
Rot. Bonds5

About 3-carboxy-4-[(2-ethoxybenzoyl)amino]phenolate

3-carboxy-4-[(2-ethoxybenzoyl)amino]phenolate (PubChem CID 54689492) has the molecular formula C16H14NO5- and a molecular weight of 300.29 g/mol. Its IUPAC name is 3-carboxy-4-[(2-ethoxybenzoyl)amino]phenolate.

Molecular Properties

Compound Name3-carboxy-4-[(2-ethoxybenzoyl)amino]phenolate
PubChem CID54689492
Molecular FormulaC16H14NO5-
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name3-carboxy-4-[(2-ethoxybenzoyl)amino]phenolate
SMILESCCOc1ccccc1C(=O)Nc1ccc([O-])cc1C(=O)O
InChIInChI=1S/C16H15NO5/c1-2-22-14-6-4-3-5-11(14)15(19)17-13-8-7-10(18)9-12(13)16(20)21/h3-9,18H,2H2,1H3,(H,17,19)(H,20,21)/p-1
InChIKeyKDWYJMGAYIXDOR-UHFFFAOYSA-M
XLogP2.11
TPSA98.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-carboxy-4-[(2-ethoxybenzoyl)amino]phenyl]methyl]-2-[(2-ethoxybenzoyl)amino]benzoic acid
CID 17296846
2-[[3-[(2-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid
CID 2204072
2-ethoxy-N-(4-hydroxy-2-methylphenyl)benzamide
CID 1234633
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
4-[(2-ethoxybenzoyl)amino]-2-(2-ethoxybenzoyl)oxybenzoic acid
CID 110178303
2-ethoxy-N-[4-[4-[(2-ethoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4556792
3-[(2-ethoxybenzoyl)amino]-4-methylbenzoic acid
CID 16789136
N-(2,4-dibromophenyl)-2-ethoxybenzamide
CID 3649234
2-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 836714
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684
2-ethoxy-N-(2-fluorophenyl)benzamide
CID 773674
2-ethoxybenzoic acid;zinc
CID 172723273

Frequently Asked Questions

What is the IUPAC name of 3-carboxy-4-[(2-ethoxybenzoyl)amino]phenolate?
The IUPAC name of 3-carboxy-4-[(2-ethoxybenzoyl)amino]phenolate (CID 54689492) is 3-carboxy-4-[(2-ethoxybenzoyl)amino]phenolate.
What is the SMILES notation for 3-carboxy-4-[(2-ethoxybenzoyl)amino]phenolate?
The canonical SMILES for 3-carboxy-4-[(2-ethoxybenzoyl)amino]phenolate is CCOc1ccccc1C(=O)Nc1ccc([O-])cc1C(=O)O.
What is the InChIKey of 3-carboxy-4-[(2-ethoxybenzoyl)amino]phenolate?
The InChIKey is KDWYJMGAYIXDOR-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H15NO5/c1-2-22-14-6-4-3-5-11(14)15(19)17-13-8-7-10(18)9-12(13)16(20)21/h3-9,18H,2H2,1H3,(H,17,19)(H,20,21)/p-1.
What are the key properties of 3-carboxy-4-[(2-ethoxybenzoyl)amino]phenolate?
3-carboxy-4-[(2-ethoxybenzoyl)amino]phenolate has a molecular weight of 300.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carboxy-4-[(2-ethoxybenzoyl)amino]phenolate is sourced from PubChem (CID 54689492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).