N-(2-chloro-4-nitrophenyl)-4-(dimethylamino)-2-hydroxybenzamide

C15H14ClN3O4 — CID 58865815

IUPACN-(2-chloro-4-nitrophenyl)-4-(dimethylamino)-2-hydroxybenzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(O)c1
InChIInChI=1S/C15H14ClN3O4/c1-18(2)9-3-5-11(14(20)8-9)15(21)17-13-6-4-10(19(22)23)7-12(13)16/h3-8,20H,1-2H3,(H,17,21)
InChIKeyXCVNMWGEPIBYPH-UHFFFAOYSA-N
MW335.75 g/mol
LogP3.27
Rot. Bonds4

About N-(2-chloro-4-nitrophenyl)-4-(dimethylamino)-2-hydroxybenzamide

N-(2-chloro-4-nitrophenyl)-4-(dimethylamino)-2-hydroxybenzamide (PubChem CID 58865815) has the molecular formula C15H14ClN3O4 and a molecular weight of 335.75 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-4-(dimethylamino)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-4-(dimethylamino)-2-hydroxybenzamide
PubChem CID58865815
Molecular FormulaC15H14ClN3O4
Molecular Weight335.75 g/mol
Exact Mass335.07
IUPAC NameN-(2-chloro-4-nitrophenyl)-4-(dimethylamino)-2-hydroxybenzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(O)c1
InChIInChI=1S/C15H14ClN3O4/c1-18(2)9-3-5-11(14(20)8-9)15(21)17-13-6-4-10(19(22)23)7-12(13)16/h3-8,20H,1-2H3,(H,17,21)
InChIKeyXCVNMWGEPIBYPH-UHFFFAOYSA-N
XLogP3.27
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-nitrophenyl)-2-hydroxy-4-iodobenzamide
CID 169122406
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
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-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide
CID 5193542
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 17342396
2-chloro-N-[4-(dimethylamino)phenyl]-5-nitrobenzamide
CID 874261
5-chloro-N-(2-chloro-4-nitrophenyl)-3-[(dimethylamino)methyl]-2-hydroxybenzamide
CID 11440508
3-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide
CID 25217158
5-chloro-N-[2-chloro-4-(dimethylamino)phenyl]-2-hydroxybenzamide
CID 162658546
N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-(trifluoromethyl)benzamide
CID 155662759
N-(2-chloro-4-nitrophenyl)-5-ethenyl-2-hydroxybenzamide
CID 163370469
2-bromo-N-(2-chloro-4-nitrophenyl)-5-methylbenzamide
CID 81003282

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-4-(dimethylamino)-2-hydroxybenzamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-4-(dimethylamino)-2-hydroxybenzamide (CID 58865815) is N-(2-chloro-4-nitrophenyl)-4-(dimethylamino)-2-hydroxybenzamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-4-(dimethylamino)-2-hydroxybenzamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-4-(dimethylamino)-2-hydroxybenzamide is CN(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(O)c1.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-4-(dimethylamino)-2-hydroxybenzamide?
The InChIKey is XCVNMWGEPIBYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O4/c1-18(2)9-3-5-11(14(20)8-9)15(21)17-13-6-4-10(19(22)23)7-12(13)16/h3-8,20H,1-2H3,(H,17,21).
What are the key properties of N-(2-chloro-4-nitrophenyl)-4-(dimethylamino)-2-hydroxybenzamide?
N-(2-chloro-4-nitrophenyl)-4-(dimethylamino)-2-hydroxybenzamide has a molecular weight of 335.75 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-4-(dimethylamino)-2-hydroxybenzamide is sourced from PubChem (CID 58865815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).