5-chloro-N-(2-chloro-4-nitrophenyl)-3-[(dimethylamino)methyl]-2-hydroxybenzamide

C16H15Cl2N3O4 — CID 11440508

IUPAC5-chloro-N-(2-chloro-4-nitrophenyl)-3-[(dimethylamino)methyl]-2-hydroxybenzamide
SMILESCN(C)Cc1cc(Cl)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1O
InChIInChI=1S/C16H15Cl2N3O4/c1-20(2)8-9-5-10(17)6-12(15(9)22)16(23)19-14-4-3-11(21(24)25)7-13(14)18/h3-7,22H,8H2,1-2H3,(H,19,23)
InChIKeyDAUGLKWXGVTXJO-UHFFFAOYSA-N
MW384.22 g/mol
LogP3.92
Rot. Bonds5

About 5-chloro-N-(2-chloro-4-nitrophenyl)-3-[(dimethylamino)methyl]-2-hydroxybenzamide

5-chloro-N-(2-chloro-4-nitrophenyl)-3-[(dimethylamino)methyl]-2-hydroxybenzamide (PubChem CID 11440508) has the molecular formula C16H15Cl2N3O4 and a molecular weight of 384.22 g/mol. Its IUPAC name is 5-chloro-N-(2-chloro-4-nitrophenyl)-3-[(dimethylamino)methyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(2-chloro-4-nitrophenyl)-3-[(dimethylamino)methyl]-2-hydroxybenzamide
PubChem CID11440508
Molecular FormulaC16H15Cl2N3O4
Molecular Weight384.22 g/mol
Exact Mass383.04
IUPAC Name5-chloro-N-(2-chloro-4-nitrophenyl)-3-[(dimethylamino)methyl]-2-hydroxybenzamide
SMILESCN(C)Cc1cc(Cl)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1O
InChIInChI=1S/C16H15Cl2N3O4/c1-20(2)8-9-5-10(17)6-12(15(9)22)16(23)19-14-4-3-11(21(24)25)7-13(14)18/h3-7,22H,8H2,1-2H3,(H,19,23)
InChIKeyDAUGLKWXGVTXJO-UHFFFAOYSA-N
XLogP3.92
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', '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

5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-3-[2-phenyl-2-(triphenyl-λ5-phosphanylidene)ethyl]benzamide
CID 11169937
5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-3-[3-oxo-2-(triphenyl-λ5-phosphanylidene)propyl]benzamide
CID 11342698
3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide
CID 5193542
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
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
N-(2-chloro-4-nitrophenyl)-4-(dimethylamino)-2-hydroxybenzamide
CID 58865815
2-aminoethanol;5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
CID 14992
5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-4-iodobenzamide
CID 169122406
N-(2,4-dichlorophenyl)-2,7-dinitro-9-oxofluorene-4-carboxamide
CID 2817538
N-(2-chloro-4-nitrophenyl)-2-methylpropanamide
CID 3512908
2-bromo-N-(2-chloro-4-nitrophenyl)-5-methylbenzamide
CID 81003282
N-(2-chloro-4-nitrophenyl)-2-ethoxybenzamide
CID 2931673

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chloro-4-nitrophenyl)-3-[(dimethylamino)methyl]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-(2-chloro-4-nitrophenyl)-3-[(dimethylamino)methyl]-2-hydroxybenzamide (CID 11440508) is 5-chloro-N-(2-chloro-4-nitrophenyl)-3-[(dimethylamino)methyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-(2-chloro-4-nitrophenyl)-3-[(dimethylamino)methyl]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-(2-chloro-4-nitrophenyl)-3-[(dimethylamino)methyl]-2-hydroxybenzamide is CN(C)Cc1cc(Cl)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1O.
What is the InChIKey of 5-chloro-N-(2-chloro-4-nitrophenyl)-3-[(dimethylamino)methyl]-2-hydroxybenzamide?
The InChIKey is DAUGLKWXGVTXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O4/c1-20(2)8-9-5-10(17)6-12(15(9)22)16(23)19-14-4-3-11(21(24)25)7-13(14)18/h3-7,22H,8H2,1-2H3,(H,19,23).
What are the key properties of 5-chloro-N-(2-chloro-4-nitrophenyl)-3-[(dimethylamino)methyl]-2-hydroxybenzamide?
5-chloro-N-(2-chloro-4-nitrophenyl)-3-[(dimethylamino)methyl]-2-hydroxybenzamide has a molecular weight of 384.22 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chloro-4-nitrophenyl)-3-[(dimethylamino)methyl]-2-hydroxybenzamide is sourced from PubChem (CID 11440508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).