4-amino-2-[(4-carbamoylphenyl)methoxy]benzoic acid

C15H14N2O4 — CID 106954770

IUPAC4-amino-2-[(4-carbamoylphenyl)methoxy]benzoic acid
SMILESNC(=O)c1ccc(COc2cc(N)ccc2C(=O)O)cc1
InChIInChI=1S/C15H14N2O4/c16-11-5-6-12(15(19)20)13(7-11)21-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8,16H2,(H2,17,18)(H,19,20)
InChIKeyJWHPVLHMMCCBQD-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.64
Rot. Bonds5

About 4-amino-2-[(4-carbamoylphenyl)methoxy]benzoic acid

4-amino-2-[(4-carbamoylphenyl)methoxy]benzoic acid (PubChem CID 106954770) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-amino-2-[(4-carbamoylphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-amino-2-[(4-carbamoylphenyl)methoxy]benzoic acid
PubChem CID106954770
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name4-amino-2-[(4-carbamoylphenyl)methoxy]benzoic acid
SMILESNC(=O)c1ccc(COc2cc(N)ccc2C(=O)O)cc1
InChIInChI=1S/C15H14N2O4/c16-11-5-6-12(15(19)20)13(7-11)21-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8,16H2,(H2,17,18)(H,19,20)
InChIKeyJWHPVLHMMCCBQD-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

4-[(5-amino-2-methoxyphenoxy)methyl]benzamide
CID 24711094
4-amino-2-[(3-bromo-4-fluorophenyl)methoxy]benzoic acid
CID 106954773
4-amino-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 106954877
4-[(4-carbamoylphenyl)methoxy]-3-chlorobenzoic acid
CID 60711874
4-amino-2-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 106954932
4-ethoxycarbonyl-2-phenylmethoxybenzoic acid
CID 175330974
methyl 4-amino-2-[(4-methylphenyl)methoxy]benzoate
CID 106955007
4-[(2-amino-4-methoxyphenoxy)methyl]benzamide
CID 24689715
4-amino-2-(cyanomethoxy)benzoic acid
CID 106954874
4-amino-2-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 106954818
4-amino-2-[(2-methoxyphenyl)methoxy]benzoic acid
CID 106954690
4-amino-3-[(4-methoxyphenyl)methoxy]benzamide
CID 63356500

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(4-carbamoylphenyl)methoxy]benzoic acid?
The IUPAC name of 4-amino-2-[(4-carbamoylphenyl)methoxy]benzoic acid (CID 106954770) is 4-amino-2-[(4-carbamoylphenyl)methoxy]benzoic acid.
What is the SMILES notation for 4-amino-2-[(4-carbamoylphenyl)methoxy]benzoic acid?
The canonical SMILES for 4-amino-2-[(4-carbamoylphenyl)methoxy]benzoic acid is NC(=O)c1ccc(COc2cc(N)ccc2C(=O)O)cc1.
What is the InChIKey of 4-amino-2-[(4-carbamoylphenyl)methoxy]benzoic acid?
The InChIKey is JWHPVLHMMCCBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c16-11-5-6-12(15(19)20)13(7-11)21-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8,16H2,(H2,17,18)(H,19,20).
What are the key properties of 4-amino-2-[(4-carbamoylphenyl)methoxy]benzoic acid?
4-amino-2-[(4-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 4-amino-2-[(4-carbamoylphenyl)methoxy]benzoic acid is sourced from PubChem (CID 106954770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).