5-amino-2-[(2-carbamoylphenyl)methoxy]benzoic acid

C15H14N2O4 — CID 43379987

IUPAC5-amino-2-[(2-carbamoylphenyl)methoxy]benzoic acid
SMILESNC(=O)c1ccccc1COc1ccc(N)cc1C(=O)O
InChIInChI=1S/C15H14N2O4/c16-10-5-6-13(12(7-10)15(19)20)21-8-9-3-1-2-4-11(9)14(17)18/h1-7H,8,16H2,(H2,17,18)(H,19,20)
InChIKeyQQVMUIGRAHCXBA-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.64
Rot. Bonds5

About 5-amino-2-[(2-carbamoylphenyl)methoxy]benzoic acid

5-amino-2-[(2-carbamoylphenyl)methoxy]benzoic acid (PubChem CID 43379987) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-amino-2-[(2-carbamoylphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[(2-carbamoylphenyl)methoxy]benzoic acid
PubChem CID43379987
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name5-amino-2-[(2-carbamoylphenyl)methoxy]benzoic acid
SMILESNC(=O)c1ccccc1COc1ccc(N)cc1C(=O)O
InChIInChI=1S/C15H14N2O4/c16-10-5-6-13(12(7-10)15(19)20)21-8-9-3-1-2-4-11(9)14(17)18/h1-7H,8,16H2,(H2,17,18)(H,19,20)
InChIKeyQQVMUIGRAHCXBA-UHFFFAOYSA-N
XLogP1.64
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-bromo-4-fluorophenoxy)methyl]benzamide
CID 24710640
5-amino-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
CID 43379989
5-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzoic acid
CID 43379973
5-amino-2-[(2-fluoro-3-methoxyphenyl)methoxy]benzamide
CID 106956184
(2-carbamoylphenyl)methyl 5-amino-2-methylbenzoate
CID 61322116
2-[(3-amino-5-bromophenoxy)methyl]benzamide
CID 103588227
5-amino-2-[(2-bromo-5-fluorophenyl)methoxy]benzamide
CID 106956029
5-amino-2-[(2,5-dimethylphenyl)methoxy]benzamide
CID 106956236
4-amino-2-[(2-methoxyphenyl)methoxy]benzoic acid
CID 106954690
2-[2-[(5-amino-2-methoxyphenoxy)methyl]phenyl]acetic acid
CID 115460494
2-[[2-[(E)-4-[2-[(2-carbamoylphenoxy)methyl]phenoxy]but-2-enoxy]phenyl]methoxy]benzamide
CID 134973783
5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid
CID 43379967

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-carbamoylphenyl)methoxy]benzoic acid?
The IUPAC name of 5-amino-2-[(2-carbamoylphenyl)methoxy]benzoic acid (CID 43379987) is 5-amino-2-[(2-carbamoylphenyl)methoxy]benzoic acid.
What is the SMILES notation for 5-amino-2-[(2-carbamoylphenyl)methoxy]benzoic acid?
The canonical SMILES for 5-amino-2-[(2-carbamoylphenyl)methoxy]benzoic acid is NC(=O)c1ccccc1COc1ccc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-[(2-carbamoylphenyl)methoxy]benzoic acid?
The InChIKey is QQVMUIGRAHCXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c16-10-5-6-13(12(7-10)15(19)20)21-8-9-3-1-2-4-11(9)14(17)18/h1-7H,8,16H2,(H2,17,18)(H,19,20).
What are the key properties of 5-amino-2-[(2-carbamoylphenyl)methoxy]benzoic acid?
5-amino-2-[(2-carbamoylphenyl)methoxy]benzoic acid has a molecular weight of 286.29 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-carbamoylphenyl)methoxy]benzoic acid is sourced from PubChem (CID 43379987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).