5-amino-2-[2-(hydroxymethyl)phenoxy]benzamide

C14H14N2O3 — CID 63652229

IUPAC5-amino-2-[2-(hydroxymethyl)phenoxy]benzamide
SMILESNC(=O)c1cc(N)ccc1Oc1ccccc1CO
InChIInChI=1S/C14H14N2O3/c15-10-5-6-13(11(7-10)14(16)18)19-12-4-2-1-3-9(12)8-17/h1-7,17H,8,15H2,(H2,16,18)
InChIKeyBYUNNDNPDMQABC-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.65
Rot. Bonds4

About 5-amino-2-[2-(hydroxymethyl)phenoxy]benzamide

5-amino-2-[2-(hydroxymethyl)phenoxy]benzamide (PubChem CID 63652229) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-amino-2-[2-(hydroxymethyl)phenoxy]benzamide.

Molecular Properties

Compound Name5-amino-2-[2-(hydroxymethyl)phenoxy]benzamide
PubChem CID63652229
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name5-amino-2-[2-(hydroxymethyl)phenoxy]benzamide
SMILESNC(=O)c1cc(N)ccc1Oc1ccccc1CO
InChIInChI=1S/C14H14N2O3/c15-10-5-6-13(11(7-10)14(16)18)19-12-4-2-1-3-9(12)8-17/h1-7,17H,8,15H2,(H2,16,18)
InChIKeyBYUNNDNPDMQABC-UHFFFAOYSA-N
XLogP1.65
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.65
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-(hydroxymethyl)phenoxy]benzamide
CID 28945887
2-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 63653260
5-amino-2-naphthalen-1-yloxybenzoic acid
CID 60987249
5-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 63652911
4-[2-(hydroxymethyl)phenoxy]benzamide
CID 28946171
5-amino-2-(2,5-dimethylphenoxy)benzamide
CID 61306658
5-amino-2-[(2-carbamoylphenyl)methoxy]benzoic acid
CID 43379987
2-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 63653288
5-amino-2-butoxybenzamide
CID 61305277
5-bromo-2-(2-hydroxyphenoxy)benzamide
CID 114895131
5-amino-2-(2-chloro-4-methylphenoxy)benzamide
CID 62671488
5-amino-2-[(2-fluoro-3-methoxyphenyl)methoxy]benzamide
CID 106956184

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(hydroxymethyl)phenoxy]benzamide?
The IUPAC name of 5-amino-2-[2-(hydroxymethyl)phenoxy]benzamide (CID 63652229) is 5-amino-2-[2-(hydroxymethyl)phenoxy]benzamide.
What is the SMILES notation for 5-amino-2-[2-(hydroxymethyl)phenoxy]benzamide?
The canonical SMILES for 5-amino-2-[2-(hydroxymethyl)phenoxy]benzamide is NC(=O)c1cc(N)ccc1Oc1ccccc1CO.
What is the InChIKey of 5-amino-2-[2-(hydroxymethyl)phenoxy]benzamide?
The InChIKey is BYUNNDNPDMQABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c15-10-5-6-13(11(7-10)14(16)18)19-12-4-2-1-3-9(12)8-17/h1-7,17H,8,15H2,(H2,16,18).
What are the key properties of 5-amino-2-[2-(hydroxymethyl)phenoxy]benzamide?
5-amino-2-[2-(hydroxymethyl)phenoxy]benzamide has a molecular weight of 258.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(hydroxymethyl)phenoxy]benzamide is sourced from PubChem (CID 63652229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).