4-amino-N-(2-chloro-5-methylphenyl)-3-hydroxybenzamide

C14H13ClN2O2 — CID 107624052

IUPAC4-amino-N-(2-chloro-5-methylphenyl)-3-hydroxybenzamide
SMILESCc1ccc(Cl)c(NC(=O)c2ccc(N)c(O)c2)c1
InChIInChI=1S/C14H13ClN2O2/c1-8-2-4-10(15)12(6-8)17-14(19)9-3-5-11(16)13(18)7-9/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyXKPBDZWTMCTCSH-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.19
Rot. Bonds2

About 4-amino-N-(2-chloro-5-methylphenyl)-3-hydroxybenzamide

4-amino-N-(2-chloro-5-methylphenyl)-3-hydroxybenzamide (PubChem CID 107624052) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-amino-N-(2-chloro-5-methylphenyl)-3-hydroxybenzamide.

Molecular Properties

Compound Name4-amino-N-(2-chloro-5-methylphenyl)-3-hydroxybenzamide
PubChem CID107624052
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name4-amino-N-(2-chloro-5-methylphenyl)-3-hydroxybenzamide
SMILESCc1ccc(Cl)c(NC(=O)c2ccc(N)c(O)c2)c1
InChIInChI=1S/C14H13ClN2O2/c1-8-2-4-10(15)12(6-8)17-14(19)9-3-5-11(16)13(18)7-9/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyXKPBDZWTMCTCSH-UHFFFAOYSA-N
XLogP3.19
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-5-methylphenyl)-3,4-dihydroxybenzamide
CID 103957548
1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide
CID 4179240
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967462
3-amino-4-chloro-N-(2,4-dimethylphenyl)benzamide
CID 16782790
4-amino-N-(3,4-dichlorophenyl)-3-hydroxybenzamide
CID 107073884
N-(2-chloro-5-methylphenyl)-2,6-dihydroxybenzamide
CID 107689718
N-(2-chloro-5-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 103769568
3-amino-N-(2-hydroxy-5-methylphenyl)-4-methylbenzamide
CID 29262487
4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide
CID 102504215
N-(2-chloro-5-methylphenyl)-2-hydroxybenzamide
CID 103769569
6-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-carboxamide
CID 103769566
N-(2-chloro-5-methylphenyl)-4-(ethylamino)-3-methylbenzamide
CID 107631262

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chloro-5-methylphenyl)-3-hydroxybenzamide?
The IUPAC name of 4-amino-N-(2-chloro-5-methylphenyl)-3-hydroxybenzamide (CID 107624052) is 4-amino-N-(2-chloro-5-methylphenyl)-3-hydroxybenzamide.
What is the SMILES notation for 4-amino-N-(2-chloro-5-methylphenyl)-3-hydroxybenzamide?
The canonical SMILES for 4-amino-N-(2-chloro-5-methylphenyl)-3-hydroxybenzamide is Cc1ccc(Cl)c(NC(=O)c2ccc(N)c(O)c2)c1.
What is the InChIKey of 4-amino-N-(2-chloro-5-methylphenyl)-3-hydroxybenzamide?
The InChIKey is XKPBDZWTMCTCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-8-2-4-10(15)12(6-8)17-14(19)9-3-5-11(16)13(18)7-9/h2-7,18H,16H2,1H3,(H,17,19).
What are the key properties of 4-amino-N-(2-chloro-5-methylphenyl)-3-hydroxybenzamide?
4-amino-N-(2-chloro-5-methylphenyl)-3-hydroxybenzamide has a molecular weight of 276.72 g/mol, XLogP of 3.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-chloro-5-methylphenyl)-3-hydroxybenzamide is sourced from PubChem (CID 107624052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).