N-(4-hydroxyphenyl)-N,2-dimethyl-3-nitrobenzamide

C15H14N2O4 — CID 28739109

IUPACN-(4-hydroxyphenyl)-N,2-dimethyl-3-nitrobenzamide
SMILESCc1c(C(=O)N(C)c2ccc(O)cc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O4/c1-10-13(4-3-5-14(10)17(20)21)15(19)16(2)11-6-8-12(18)9-7-11/h3-9,18H,1-2H3
InChIKeyWFIXUUVTNKZYHS-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.89
Rot. Bonds3

About N-(4-hydroxyphenyl)-N,2-dimethyl-3-nitrobenzamide

N-(4-hydroxyphenyl)-N,2-dimethyl-3-nitrobenzamide (PubChem CID 28739109) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-N,2-dimethyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-N,2-dimethyl-3-nitrobenzamide
PubChem CID28739109
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-(4-hydroxyphenyl)-N,2-dimethyl-3-nitrobenzamide
SMILESCc1c(C(=O)N(C)c2ccc(O)cc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O4/c1-10-13(4-3-5-14(10)17(20)21)15(19)16(2)11-6-8-12(18)9-7-11/h3-9,18H,1-2H3
InChIKeyWFIXUUVTNKZYHS-UHFFFAOYSA-N
XLogP2.89
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
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'}

Analyze N-(4-hydroxyphenyl)-N,2-dimethyl-3-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[acetyl(methyl)amino]phenyl]-2-methyl-3-nitrobenzamide
CID 884405
4-chloro-N-(4-hydroxyphenyl)-N-methyl-2-nitrobenzamide
CID 28889464
N-(2-bromoethyl)-N,2-dimethyl-3-nitrobenzamide
CID 80659716
2-[carboxymethyl-(2-methyl-3-nitrobenzoyl)amino]acetic acid
CID 63646247
N-(1-hydroxypropan-2-yl)-N,2-dimethyl-3-nitrobenzamide
CID 112704636
N-(4-hydroxyphenyl)-2-iodo-N,3-dimethylbenzamide
CID 103750397
N-ethyl-2-methyl-N-(2-methylprop-2-enyl)-3-nitrobenzamide
CID 78800410
N,2-dimethyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 18117285
4-[methyl-(2-methyl-3-nitrobenzoyl)amino]butanoic acid
CID 43235387
2-methyl-N-[[(2-methyl-3-nitrobenzoyl)amino]methyl]-3-nitrobenzamide
CID 134843322
2,3-difluoro-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 55099719
N-[(1R,2R)-2-hydroxycyclohexyl]-N,2-dimethyl-3-nitrobenzamide
CID 19061815

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-N,2-dimethyl-3-nitrobenzamide?
The IUPAC name of N-(4-hydroxyphenyl)-N,2-dimethyl-3-nitrobenzamide (CID 28739109) is N-(4-hydroxyphenyl)-N,2-dimethyl-3-nitrobenzamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-N,2-dimethyl-3-nitrobenzamide?
The canonical SMILES for N-(4-hydroxyphenyl)-N,2-dimethyl-3-nitrobenzamide is Cc1c(C(=O)N(C)c2ccc(O)cc2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(4-hydroxyphenyl)-N,2-dimethyl-3-nitrobenzamide?
The InChIKey is WFIXUUVTNKZYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-10-13(4-3-5-14(10)17(20)21)15(19)16(2)11-6-8-12(18)9-7-11/h3-9,18H,1-2H3.
What are the key properties of N-(4-hydroxyphenyl)-N,2-dimethyl-3-nitrobenzamide?
N-(4-hydroxyphenyl)-N,2-dimethyl-3-nitrobenzamide has a molecular weight of 286.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-N,2-dimethyl-3-nitrobenzamide is sourced from PubChem (CID 28739109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).