2-chloro-N-(2-hydroxy-5-methylphenyl)-5-nitrobenzamide

C14H11ClN2O4 — CID 4992171

IUPAC2-chloro-N-(2-hydroxy-5-methylphenyl)-5-nitrobenzamide
SMILESCc1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1
InChIInChI=1S/C14H11ClN2O4/c1-8-2-5-13(18)12(6-8)16-14(19)10-7-9(17(20)21)3-4-11(10)15/h2-7,18H,1H3,(H,16,19)
InChIKeyHEQHCEMLTSTZSQ-UHFFFAOYSA-N
MW306.71 g/mol
LogP3.51
Rot. Bonds3

About 2-chloro-N-(2-hydroxy-5-methylphenyl)-5-nitrobenzamide

2-chloro-N-(2-hydroxy-5-methylphenyl)-5-nitrobenzamide (PubChem CID 4992171) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxy-5-methylphenyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxy-5-methylphenyl)-5-nitrobenzamide
PubChem CID4992171
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name2-chloro-N-(2-hydroxy-5-methylphenyl)-5-nitrobenzamide
SMILESCc1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1
InChIInChI=1S/C14H11ClN2O4/c1-8-2-5-13(18)12(6-8)16-14(19)10-7-9(17(20)21)3-4-11(10)15/h2-7,18H,1H3,(H,16,19)
InChIKeyHEQHCEMLTSTZSQ-UHFFFAOYSA-N
XLogP3.51
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(2-hydroxyphenyl)benzamide
CID 3239831
2'-Hydroxy-4-nitrobenzanilide
CID 3090023
4'-Chloro-2-Hydroxy-5-nitrobenzanilide
CID 80981
Salicylanilide, 4'-chloro-3-nitro-
CID 80982
N-(2-hydroxy-5-nitrophenyl)-3-nitrobenzamide
CID 3090473
2-chloro-N-(2-hydroxyphenyl)-5-nitrobenzamide
CID 4306127
Salicylanilide, 3'-chloro-5-nitro-
CID 81001
N-(3,4-Dichlorophenyl)-2-hydroxy-3-nitrobenzamide
CID 122361
N-(2-hydroxy-4,5-dimethylphenyl)-3-nitrobenzamide
CID 3142802
2-chloro-5-nitro-N-(2-phenoxyphenyl)benzamide
CID 1222721
3'-Chloro-3-nitrosalicylanilide
CID 80983
2,4-Dichloro-2'-hydroxybenzanilide
CID 4690295

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxy-5-methylphenyl)-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-(2-hydroxy-5-methylphenyl)-5-nitrobenzamide (CID 4992171) is 2-chloro-N-(2-hydroxy-5-methylphenyl)-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxy-5-methylphenyl)-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(2-hydroxy-5-methylphenyl)-5-nitrobenzamide is Cc1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1.
What is the InChIKey of 2-chloro-N-(2-hydroxy-5-methylphenyl)-5-nitrobenzamide?
The InChIKey is HEQHCEMLTSTZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c1-8-2-5-13(18)12(6-8)16-14(19)10-7-9(17(20)21)3-4-11(10)15/h2-7,18H,1H3,(H,16,19).
What are the key properties of 2-chloro-N-(2-hydroxy-5-methylphenyl)-5-nitrobenzamide?
2-chloro-N-(2-hydroxy-5-methylphenyl)-5-nitrobenzamide has a molecular weight of 306.71 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxy-5-methylphenyl)-5-nitrobenzamide is sourced from PubChem (CID 4992171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).