5-amino-3-chloro-2-[3-(hydroxymethyl)phenoxy]benzamide

C14H13ClN2O3 — CID 107197786

IUPAC5-amino-3-chloro-2-[3-(hydroxymethyl)phenoxy]benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1Oc1cccc(CO)c1
InChIInChI=1S/C14H13ClN2O3/c15-12-6-9(16)5-11(14(17)19)13(12)20-10-3-1-2-8(4-10)7-18/h1-6,18H,7,16H2,(H2,17,19)
InChIKeySBHXKLZDNTXBGL-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.31
Rot. Bonds4

About 5-amino-3-chloro-2-[3-(hydroxymethyl)phenoxy]benzamide

5-amino-3-chloro-2-[3-(hydroxymethyl)phenoxy]benzamide (PubChem CID 107197786) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[3-(hydroxymethyl)phenoxy]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[3-(hydroxymethyl)phenoxy]benzamide
PubChem CID107197786
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name5-amino-3-chloro-2-[3-(hydroxymethyl)phenoxy]benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1Oc1cccc(CO)c1
InChIInChI=1S/C14H13ClN2O3/c15-12-6-9(16)5-11(14(17)19)13(12)20-10-3-1-2-8(4-10)7-18/h1-6,18H,7,16H2,(H2,17,19)
InChIKeySBHXKLZDNTXBGL-UHFFFAOYSA-N
XLogP2.31
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-3-chloro-2-[3-(hydroxymethyl)phenoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-3-chloro-2-(2-chlorophenoxy)benzamide
CID 107197235
methyl 5-amino-3-chloro-2-[4-(hydroxymethyl)phenoxy]benzoate
CID 107197740
5-amino-3-chloro-2-(3-ethoxyphenoxy)benzoic acid
CID 107197815
4-bromo-2-[3-(hydroxymethyl)phenoxy]benzamide
CID 114906895
2-chloro-N'-hydroxy-4-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 76981418
[3-(2-amino-6-methylphenoxy)phenyl]methanol
CID 115550948
3-[(4-amino-2,6-dichlorophenoxy)methyl]benzamide
CID 43351625
methyl 5-amino-3-chloro-2-(4-ethylphenoxy)benzoate
CID 107197223
5-amino-3-chloro-2-(4-methoxyphenoxy)benzoic acid
CID 107197281
5-amino-3-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzamide
CID 107194513
methyl 5-amino-3-chloro-2-pyridin-3-yloxybenzoate
CID 107197176
3,5-difluoro-4-[3-(hydroxymethyl)phenoxy]benzoic acid
CID 63183962

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[3-(hydroxymethyl)phenoxy]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[3-(hydroxymethyl)phenoxy]benzamide (CID 107197786) is 5-amino-3-chloro-2-[3-(hydroxymethyl)phenoxy]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[3-(hydroxymethyl)phenoxy]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[3-(hydroxymethyl)phenoxy]benzamide is NC(=O)c1cc(N)cc(Cl)c1Oc1cccc(CO)c1.
What is the InChIKey of 5-amino-3-chloro-2-[3-(hydroxymethyl)phenoxy]benzamide?
The InChIKey is SBHXKLZDNTXBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c15-12-6-9(16)5-11(14(17)19)13(12)20-10-3-1-2-8(4-10)7-18/h1-6,18H,7,16H2,(H2,17,19).
What are the key properties of 5-amino-3-chloro-2-[3-(hydroxymethyl)phenoxy]benzamide?
5-amino-3-chloro-2-[3-(hydroxymethyl)phenoxy]benzamide has a molecular weight of 292.72 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-[3-(hydroxymethyl)phenoxy]benzamide is sourced from PubChem (CID 107197786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).