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

C14H11ClN2O4 — CID 28889464

IUPAC4-chloro-N-(4-hydroxyphenyl)-N-methyl-2-nitrobenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(O)cc1
InChIInChI=1S/C14H11ClN2O4/c1-16(10-3-5-11(18)6-4-10)14(19)12-7-2-9(15)8-13(12)17(20)21/h2-8,18H,1H3
InChIKeyVZYDGZCFRRYFLH-UHFFFAOYSA-N
MW306.71 g/mol
LogP3.23
Rot. Bonds3

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

4-chloro-N-(4-hydroxyphenyl)-N-methyl-2-nitrobenzamide (PubChem CID 28889464) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is 4-chloro-N-(4-hydroxyphenyl)-N-methyl-2-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-(4-hydroxyphenyl)-N-methyl-2-nitrobenzamide
PubChem CID28889464
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name4-chloro-N-(4-hydroxyphenyl)-N-methyl-2-nitrobenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(O)cc1
InChIInChI=1S/C14H11ClN2O4/c1-16(10-3-5-11(18)6-4-10)14(19)12-7-2-9(15)8-13(12)17(20)21/h2-8,18H,1H3
InChIKeyVZYDGZCFRRYFLH-UHFFFAOYSA-N
XLogP3.23
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 53.23
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'}

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Related Compounds

5-chloro-2-hydroxy-N-methyl-N-(4-nitrophenyl)benzamide
CID 141401921
2-bromo-5-chloro-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 113221937
N-(4-hydroxyphenyl)-N,2-dimethyl-3-nitrobenzamide
CID 28739109
4-chloro-N-(5-chloropentyl)-N-methyl-2-nitrobenzamide
CID 107205659
bis(4-chloro-2-nitrophenyl)methanone
CID 13462792
5-chloro-N-(4-hydroxyphenyl)-2-methoxy-N-methylbenzamide
CID 28739149
3-[(4-chloro-2-nitrobenzoyl)-methylamino]propanoic acid
CID 60989625
2-[(4-chloro-2-nitrobenzoyl)-ethylamino]acetic acid
CID 54900924
4-chloro-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-2-nitrobenzamide
CID 55736753
4-chloro-N-(3-hydroxybutyl)-N-methyl-2-nitrobenzamide
CID 111695702
4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-nitrobenzamide
CID 9107688
2-chloro-4-fluoro-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739024

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-hydroxyphenyl)-N-methyl-2-nitrobenzamide?
The IUPAC name of 4-chloro-N-(4-hydroxyphenyl)-N-methyl-2-nitrobenzamide (CID 28889464) is 4-chloro-N-(4-hydroxyphenyl)-N-methyl-2-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-(4-hydroxyphenyl)-N-methyl-2-nitrobenzamide?
The canonical SMILES for 4-chloro-N-(4-hydroxyphenyl)-N-methyl-2-nitrobenzamide is CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(O)cc1.
What is the InChIKey of 4-chloro-N-(4-hydroxyphenyl)-N-methyl-2-nitrobenzamide?
The InChIKey is VZYDGZCFRRYFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c1-16(10-3-5-11(18)6-4-10)14(19)12-7-2-9(15)8-13(12)17(20)21/h2-8,18H,1H3.
What are the key properties of 4-chloro-N-(4-hydroxyphenyl)-N-methyl-2-nitrobenzamide?
4-chloro-N-(4-hydroxyphenyl)-N-methyl-2-nitrobenzamide has a molecular weight of 306.71 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-hydroxyphenyl)-N-methyl-2-nitrobenzamide is sourced from PubChem (CID 28889464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).