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

C14H12N2O4 — CID 28739464

IUPACN-(4-hydroxyphenyl)-3-methyl-2-nitrobenzamide
SMILESCc1cccc(C(=O)Nc2ccc(O)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O4/c1-9-3-2-4-12(13(9)16(19)20)14(18)15-10-5-7-11(17)8-6-10/h2-8,17H,1H3,(H,15,18)
InChIKeyNLGKEZIAONLALZ-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.86
Rot. Bonds3

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

N-(4-hydroxyphenyl)-3-methyl-2-nitrobenzamide (PubChem CID 28739464) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-3-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-3-methyl-2-nitrobenzamide
PubChem CID28739464
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC NameN-(4-hydroxyphenyl)-3-methyl-2-nitrobenzamide
SMILESCc1cccc(C(=O)Nc2ccc(O)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O4/c1-9-3-2-4-12(13(9)16(19)20)14(18)15-10-5-7-11(17)8-6-10/h2-8,17H,1H3,(H,15,18)
InChIKeyNLGKEZIAONLALZ-UHFFFAOYSA-N
XLogP2.86
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.86
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

3-methyl-N-[4-(4-methylphenoxy)phenyl]-2-nitrobenzamide
CID 7925169
N-(4-ethoxyphenyl)-3-methyl-2-nitrobenzamide
CID 889390
N-(3,4-difluorophenyl)-3-methyl-2-nitrobenzamide
CID 890522
N-(4-bromo-3-fluorophenyl)-3-methyl-2-nitrobenzamide
CID 65430673
N-(2-fluoro-4-hydroxyphenyl)-3-methyl-2-nitrobenzamide
CID 64793485
3-methyl-N'-(2-methylbenzoyl)-2-nitrobenzohydrazide
CID 46520515
N-[4-(2-methoxyphenoxy)phenyl]-3-methyl-2-nitrobenzamide
CID 27901759
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-methyl-2-nitrobenzamide
CID 46428530
N-[4-(dipropylsulfamoyl)phenyl]-3-methyl-2-nitrobenzamide
CID 1307165
3-methyl-2-nitro-N-(2,4,6-trimethylphenyl)benzamide
CID 4255599
N-[4-(methanesulfonamido)-3-methylphenyl]-3-methyl-2-nitrobenzamide
CID 38299823
3-methyl-2-nitro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 39902627

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-3-methyl-2-nitrobenzamide?
The IUPAC name of N-(4-hydroxyphenyl)-3-methyl-2-nitrobenzamide (CID 28739464) is N-(4-hydroxyphenyl)-3-methyl-2-nitrobenzamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-3-methyl-2-nitrobenzamide?
The canonical SMILES for N-(4-hydroxyphenyl)-3-methyl-2-nitrobenzamide is Cc1cccc(C(=O)Nc2ccc(O)cc2)c1[N+](=O)[O-].
What is the InChIKey of N-(4-hydroxyphenyl)-3-methyl-2-nitrobenzamide?
The InChIKey is NLGKEZIAONLALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-9-3-2-4-12(13(9)16(19)20)14(18)15-10-5-7-11(17)8-6-10/h2-8,17H,1H3,(H,15,18).
What are the key properties of N-(4-hydroxyphenyl)-3-methyl-2-nitrobenzamide?
N-(4-hydroxyphenyl)-3-methyl-2-nitrobenzamide has a molecular weight of 272.26 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-3-methyl-2-nitrobenzamide is sourced from PubChem (CID 28739464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).