5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide

C14H11ClN2O4 — CID 828117

IUPAC5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C14H11ClN2O4/c1-8-2-4-10(17(20)21)7-12(8)16-14(19)11-6-9(15)3-5-13(11)18/h2-7,18H,1H3,(H,16,19)
InChIKeyYWUQPKZBIOCLSK-UHFFFAOYSA-N
MW306.70 g/mol
LogP3.51
Rot. Bonds3

About 5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide

5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide (PubChem CID 828117) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.70 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide
PubChem CID828117
Molecular FormulaC14H11ClN2O4
Molecular Weight306.70 g/mol
Exact Mass306.04
IUPAC Name5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C14H11ClN2O4/c1-8-2-4-10(17(20)21)7-12(8)16-14(19)11-6-9(15)3-5-13(11)18/h2-7,18H,1H3,(H,16,19)
InChIKeyYWUQPKZBIOCLSK-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 ≤ 500306.70
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2-chloro-4-nitro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-hydroxybenzamide
CID 71312570
3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide
CID 22238135
2-aminoethanol;5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
CID 14992
5-chloro-2-hydroxy-N-(2-methylphenyl)benzamide
CID 970572
1-(2,5-dichlorophenyl)-3-(2-methyl-5-nitrophenyl)urea
CID 5122789
2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 4534169
2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 30951453
1-[(5-chloro-2-hydroxybenzoyl)amino]-3-(2-chloro-5-nitrophenyl)thiourea
CID 9096982
N-(4-chloro-2-methylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963040
N-(3-chloro-4-hydroxyphenyl)-2-methyl-5-nitrobenzamide
CID 63936506
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-methylbenzamide
CID 106509889
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 17342396

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide (CID 828117) is 5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide?
The InChIKey is YWUQPKZBIOCLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c1-8-2-4-10(17(20)21)7-12(8)16-14(19)11-6-9(15)3-5-13(11)18/h2-7,18H,1H3,(H,16,19).
What are the key properties of 5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide?
5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide has a molecular weight of 306.70 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 5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide is sourced from PubChem (CID 828117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).