N-(3-chloro-4-hydroxyphenyl)-2-methyl-5-nitrobenzamide

C14H11ClN2O4 — CID 63936506

IUPACN-(3-chloro-4-hydroxyphenyl)-2-methyl-5-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C14H11ClN2O4/c1-8-2-4-10(17(20)21)7-11(8)14(19)16-9-3-5-13(18)12(15)6-9/h2-7,18H,1H3,(H,16,19)
InChIKeyHGHSYORYJHIFRR-UHFFFAOYSA-N
MW306.71 g/mol
LogP3.51
Rot. Bonds3

About N-(3-chloro-4-hydroxyphenyl)-2-methyl-5-nitrobenzamide

N-(3-chloro-4-hydroxyphenyl)-2-methyl-5-nitrobenzamide (PubChem CID 63936506) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-2-methyl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-2-methyl-5-nitrobenzamide
PubChem CID63936506
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-2-methyl-5-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C14H11ClN2O4/c1-8-2-4-10(17(20)21)7-11(8)14(19)16-9-3-5-13(18)12(15)6-9/h2-7,18H,1H3,(H,16,19)
InChIKeyHGHSYORYJHIFRR-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': 'hydroquinone', '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

N-(3-chloro-4-hydroxyphenyl)-2-fluoro-4-nitrobenzamide
CID 63948000
N-(3-chloro-4-hydroxyphenyl)-4-nitrobenzamide
CID 4636309
N-(4-aminophenyl)-2-methyl-5-nitrobenzamide
CID 63214788
N-(4-bromo-3-fluorophenyl)-2-methyl-5-nitrobenzamide
CID 65429191
2-chloro-N-(3-chloro-4-methylphenyl)-3,5-dinitrobenzamide
CID 4633443
5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 828117
2-[(3,4-dichlorophenyl)carbamoyl]-4-nitrobenzoate
CID 7386526
5-bromo-N-(3-chloro-4-nitrophenyl)-2-methylbenzamide
CID 79012178
N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzamide
CID 55363553
N-(4-chloro-2-pyridinyl)-2-methyl-5-nitrobenzamide
CID 115627296
2-chloro-N-(2-methyl-4-pyridinyl)-5-nitrobenzamide
CID 78955439
4-chloro-N-(3-hydroxy-4-methylphenyl)-2-nitrobenzamide
CID 64793088

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-2-methyl-5-nitrobenzamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-2-methyl-5-nitrobenzamide (CID 63936506) is N-(3-chloro-4-hydroxyphenyl)-2-methyl-5-nitrobenzamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-2-methyl-5-nitrobenzamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-2-methyl-5-nitrobenzamide is Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(O)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-2-methyl-5-nitrobenzamide?
The InChIKey is HGHSYORYJHIFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c1-8-2-4-10(17(20)21)7-11(8)14(19)16-9-3-5-13(18)12(15)6-9/h2-7,18H,1H3,(H,16,19).
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-2-methyl-5-nitrobenzamide?
N-(3-chloro-4-hydroxyphenyl)-2-methyl-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 N-(3-chloro-4-hydroxyphenyl)-2-methyl-5-nitrobenzamide is sourced from PubChem (CID 63936506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).