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

C14H11ClN2O5 — CID 165355321

IUPAC2-chloro-N-(2-hydroxy-5-methoxyphenyl)-5-nitrobenzamide
SMILESCOc1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1
InChIInChI=1S/C14H11ClN2O5/c1-22-9-3-5-13(18)12(7-9)16-14(19)10-6-8(17(20)21)2-4-11(10)15/h2-7,18H,1H3,(H,16,19)
InChIKeyGMQRIYUQRNDZIS-UHFFFAOYSA-N
MW322.70 g/mol
LogP3.21
Rot. Bonds4

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

2-chloro-N-(2-hydroxy-5-methoxyphenyl)-5-nitrobenzamide (PubChem CID 165355321) has the molecular formula C14H11ClN2O5 and a molecular weight of 322.70 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxy-5-methoxyphenyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxy-5-methoxyphenyl)-5-nitrobenzamide
PubChem CID165355321
Molecular FormulaC14H11ClN2O5
Molecular Weight322.70 g/mol
Exact Mass322.04
IUPAC Name2-chloro-N-(2-hydroxy-5-methoxyphenyl)-5-nitrobenzamide
SMILESCOc1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1
InChIInChI=1S/C14H11ClN2O5/c1-22-9-3-5-13(18)12(7-9)16-14(19)10-6-8(17(20)21)2-4-11(10)15/h2-7,18H,1H3,(H,16,19)
InChIKeyGMQRIYUQRNDZIS-UHFFFAOYSA-N
XLogP3.21
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.70
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-bromo-2-chloro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 103863256
2-chloro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-5-nitrobenzamide
CID 26252770
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 17342396
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-methylbenzamide
CID 106509889
2-hydroxy-5-methoxy-N-(4-nitrophenyl)benzamide
CID 10968180
N-(2-chloro-5-methoxyphenyl)-2,5-dihydroxybenzamide
CID 107722765
N-(2-chloro-5-methoxyphenyl)-2-hydroxy-3-nitrobenzamide
CID 10064754
2-chloro-N'-(3,5-dimethoxybenzoyl)-5-nitrobenzohydrazide
CID 4878023
2-chloro-N-(4-methoxy-3,5-dinitrophenyl)-5-nitrobenzamide
CID 17358222
2-(2,4-dinitroanilino)-4-methoxyphenol
CID 86702715
2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide
CID 2323396

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxy-5-methoxyphenyl)-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-(2-hydroxy-5-methoxyphenyl)-5-nitrobenzamide (CID 165355321) is 2-chloro-N-(2-hydroxy-5-methoxyphenyl)-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxy-5-methoxyphenyl)-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(2-hydroxy-5-methoxyphenyl)-5-nitrobenzamide is COc1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1.
What is the InChIKey of 2-chloro-N-(2-hydroxy-5-methoxyphenyl)-5-nitrobenzamide?
The InChIKey is GMQRIYUQRNDZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O5/c1-22-9-3-5-13(18)12(7-9)16-14(19)10-6-8(17(20)21)2-4-11(10)15/h2-7,18H,1H3,(H,16,19).
What are the key properties of 2-chloro-N-(2-hydroxy-5-methoxyphenyl)-5-nitrobenzamide?
2-chloro-N-(2-hydroxy-5-methoxyphenyl)-5-nitrobenzamide has a molecular weight of 322.70 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxy-5-methoxyphenyl)-5-nitrobenzamide is sourced from PubChem (CID 165355321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).