2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-methylbenzamide

C14H11ClN2O4 — CID 106509889

IUPAC2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(Cl)c1
InChIInChI=1S/C14H11ClN2O4/c1-8-2-4-10(11(15)6-8)14(19)16-12-7-9(17(20)21)3-5-13(12)18/h2-7,18H,1H3,(H,16,19)
InChIKeyIVDDTFOQDLCBBM-UHFFFAOYSA-N
MW306.71 g/mol
LogP3.51
Rot. Bonds3

About 2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-methylbenzamide

2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-methylbenzamide (PubChem CID 106509889) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-methylbenzamide
PubChem CID106509889
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(Cl)c1
InChIInChI=1S/C14H11ClN2O4/c1-8-2-4-10(11(15)6-8)14(19)16-12-7-9(17(20)21)3-5-13(12)18/h2-7,18H,1H3,(H,16,19)
InChIKeyIVDDTFOQDLCBBM-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

2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 17342396
5-bromo-2-chloro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 103863256
N-(5-butan-2-yl-2-hydroxyphenyl)-2-chloro-4-nitrobenzamide
CID 5067324
N-(2-chloro-4-methylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963066
N-(2-hydroxy-5-nitrophenyl)-2,3-dimethylbenzamide
CID 103863236
2-chloro-N-(2-hydroxy-5-methoxyphenyl)-5-nitrobenzamide
CID 165355321
5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 828117
N-(2-hydroxy-5-nitrophenyl)-2-iodo-3-methylbenzamide
CID 103894392
3,6-dichloro-N-(2-hydroxy-5-nitrophenyl)pyridazine-4-carboxamide
CID 136812224
3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide
CID 22238135
N-(2-hydroxy-5-nitrophenyl)-2-methylpyridine-3-carboxamide
CID 103863225
2-bromo-N-(2-chloro-4-nitrophenyl)-5-methylbenzamide
CID 81003282

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-methylbenzamide?
The IUPAC name of 2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-methylbenzamide (CID 106509889) is 2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-methylbenzamide?
The InChIKey is IVDDTFOQDLCBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c1-8-2-4-10(11(15)6-8)14(19)16-12-7-9(17(20)21)3-5-13(12)18/h2-7,18H,1H3,(H,16,19).
What are the key properties of 2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-methylbenzamide?
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-methylbenzamide 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-nitrophenyl)-4-methylbenzamide is sourced from PubChem (CID 106509889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).