2-amino-N-(3-chloro-4-hydroxyphenyl)-5-methoxybenzamide

C14H13ClN2O3 — CID 107679870

IUPAC2-amino-N-(3-chloro-4-hydroxyphenyl)-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)Nc2ccc(O)c(Cl)c2)c1
InChIInChI=1S/C14H13ClN2O3/c1-20-9-3-4-12(16)10(7-9)14(19)17-8-2-5-13(18)11(15)6-8/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeySGRUMCVWOWTEIA-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.89
Rot. Bonds3

About 2-amino-N-(3-chloro-4-hydroxyphenyl)-5-methoxybenzamide

2-amino-N-(3-chloro-4-hydroxyphenyl)-5-methoxybenzamide (PubChem CID 107679870) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-4-hydroxyphenyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-4-hydroxyphenyl)-5-methoxybenzamide
PubChem CID107679870
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name2-amino-N-(3-chloro-4-hydroxyphenyl)-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)Nc2ccc(O)c(Cl)c2)c1
InChIInChI=1S/C14H13ClN2O3/c1-20-9-3-4-12(16)10(7-9)14(19)17-8-2-5-13(18)11(15)6-8/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeySGRUMCVWOWTEIA-UHFFFAOYSA-N
XLogP2.89
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-fluoro-4-hydroxyphenyl)-5-methoxybenzamide
CID 115413371
2-amino-N-(3-hydroxy-4-methoxyphenyl)-5-methoxybenzamide
CID 115412684
N-(3-amino-4-bromophenyl)-2-hydroxy-5-methoxybenzamide
CID 79768277
2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide
CID 82859159
1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea
CID 64788507
2-amino-N-(3-chloro-4-fluorophenyl)-4-methoxybenzamide
CID 80504103
N-(3-amino-4-bromophenyl)-2-hydroxy-4-methoxybenzamide
CID 79768120
2-amino-N-(2-chloro-5-methylphenyl)-5-methoxybenzamide
CID 107624036
2-amino-5-methoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 79235180
N-(3-chloro-4-hydroxyphenyl)-2-methoxy-5-methylbenzamide
CID 63937740
2-hydroxy-5-methoxy-N-(4-nitrophenyl)benzamide
CID 10968180
1-(4-amino-3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 82861747

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-4-hydroxyphenyl)-5-methoxybenzamide?
The IUPAC name of 2-amino-N-(3-chloro-4-hydroxyphenyl)-5-methoxybenzamide (CID 107679870) is 2-amino-N-(3-chloro-4-hydroxyphenyl)-5-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(3-chloro-4-hydroxyphenyl)-5-methoxybenzamide?
The canonical SMILES for 2-amino-N-(3-chloro-4-hydroxyphenyl)-5-methoxybenzamide is COc1ccc(N)c(C(=O)Nc2ccc(O)c(Cl)c2)c1.
What is the InChIKey of 2-amino-N-(3-chloro-4-hydroxyphenyl)-5-methoxybenzamide?
The InChIKey is SGRUMCVWOWTEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-20-9-3-4-12(16)10(7-9)14(19)17-8-2-5-13(18)11(15)6-8/h2-7,18H,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-N-(3-chloro-4-hydroxyphenyl)-5-methoxybenzamide?
2-amino-N-(3-chloro-4-hydroxyphenyl)-5-methoxybenzamide has a molecular weight of 292.72 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-4-hydroxyphenyl)-5-methoxybenzamide is sourced from PubChem (CID 107679870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).