4-amino-N-(3-chloro-4-ethoxyphenyl)-3-hydroxybenzamide

C15H15ClN2O3 — CID 107074269

IUPAC4-amino-N-(3-chloro-4-ethoxyphenyl)-3-hydroxybenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(N)c(O)c2)cc1Cl
InChIInChI=1S/C15H15ClN2O3/c1-2-21-14-6-4-10(8-11(14)16)18-15(20)9-3-5-12(17)13(19)7-9/h3-8,19H,2,17H2,1H3,(H,18,20)
InChIKeyXUXAPXYJMQTEIH-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.28
Rot. Bonds4

About 4-amino-N-(3-chloro-4-ethoxyphenyl)-3-hydroxybenzamide

4-amino-N-(3-chloro-4-ethoxyphenyl)-3-hydroxybenzamide (PubChem CID 107074269) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-4-ethoxyphenyl)-3-hydroxybenzamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-4-ethoxyphenyl)-3-hydroxybenzamide
PubChem CID107074269
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name4-amino-N-(3-chloro-4-ethoxyphenyl)-3-hydroxybenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(N)c(O)c2)cc1Cl
InChIInChI=1S/C15H15ClN2O3/c1-2-21-14-6-4-10(8-11(14)16)18-15(20)9-3-5-12(17)13(19)7-9/h3-8,19H,2,17H2,1H3,(H,18,20)
InChIKeyXUXAPXYJMQTEIH-UHFFFAOYSA-N
XLogP3.28
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3,4-dichlorophenyl)-3-hydroxybenzamide
CID 107073884
3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide
CID 103221287
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518
N-(3-chloro-4-ethoxyphenyl)pyridine-4-carboxamide
CID 110777433
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide
CID 15991907
N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide
CID 3371739
3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide
CID 806791
N-(4-amino-3,5-dichlorophenyl)-4-ethoxy-3-methylbenzamide
CID 86938466
2-amino-3-chloro-N-(3-chloro-4-ethoxyphenyl)benzamide
CID 115540160
N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide
CID 3894156
N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636
4-amino-N-(3-fluoro-4-methoxyphenyl)-3-hydroxybenzamide
CID 107074051

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-4-ethoxyphenyl)-3-hydroxybenzamide?
The IUPAC name of 4-amino-N-(3-chloro-4-ethoxyphenyl)-3-hydroxybenzamide (CID 107074269) is 4-amino-N-(3-chloro-4-ethoxyphenyl)-3-hydroxybenzamide.
What is the SMILES notation for 4-amino-N-(3-chloro-4-ethoxyphenyl)-3-hydroxybenzamide?
The canonical SMILES for 4-amino-N-(3-chloro-4-ethoxyphenyl)-3-hydroxybenzamide is CCOc1ccc(NC(=O)c2ccc(N)c(O)c2)cc1Cl.
What is the InChIKey of 4-amino-N-(3-chloro-4-ethoxyphenyl)-3-hydroxybenzamide?
The InChIKey is XUXAPXYJMQTEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-2-21-14-6-4-10(8-11(14)16)18-15(20)9-3-5-12(17)13(19)7-9/h3-8,19H,2,17H2,1H3,(H,18,20).
What are the key properties of 4-amino-N-(3-chloro-4-ethoxyphenyl)-3-hydroxybenzamide?
4-amino-N-(3-chloro-4-ethoxyphenyl)-3-hydroxybenzamide has a molecular weight of 306.75 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chloro-4-ethoxyphenyl)-3-hydroxybenzamide is sourced from PubChem (CID 107074269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).