3-chloro-N-(2-hydroxyethyl)-5-nitro-N-(pyridin-3-ylmethyl)benzamide

C15H14ClN3O4 — CID 75435792

IUPAC3-chloro-N-(2-hydroxyethyl)-5-nitro-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1cc(Cl)cc([N+](=O)[O-])c1)N(CCO)Cc1cccnc1
InChIInChI=1S/C15H14ClN3O4/c16-13-6-12(7-14(8-13)19(22)23)15(21)18(4-5-20)10-11-2-1-3-17-9-11/h1-3,6-9,20H,4-5,10H2
InChIKeyAEXJSPOLJMZEGZ-UHFFFAOYSA-N
MW335.75 g/mol
LogP2.28
Rot. Bonds6

About 3-chloro-N-(2-hydroxyethyl)-5-nitro-N-(pyridin-3-ylmethyl)benzamide

3-chloro-N-(2-hydroxyethyl)-5-nitro-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 75435792) has the molecular formula C15H14ClN3O4 and a molecular weight of 335.75 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxyethyl)-5-nitro-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxyethyl)-5-nitro-N-(pyridin-3-ylmethyl)benzamide
PubChem CID75435792
Molecular FormulaC15H14ClN3O4
Molecular Weight335.75 g/mol
Exact Mass335.07
IUPAC Name3-chloro-N-(2-hydroxyethyl)-5-nitro-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1cc(Cl)cc([N+](=O)[O-])c1)N(CCO)Cc1cccnc1
InChIInChI=1S/C15H14ClN3O4/c16-13-6-12(7-14(8-13)19(22)23)15(21)18(4-5-20)10-11-2-1-3-17-9-11/h1-3,6-9,20H,4-5,10H2
InChIKeyAEXJSPOLJMZEGZ-UHFFFAOYSA-N
XLogP2.28
TPSA96.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 52.28
H-Bond Donors ≤ 51
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

3,5-dinitro-N,N-bis(pyridin-3-ylmethyl)benzamide
CID 132554500
2-chloro-N-(2-cyanoethyl)-4-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 134013347
N-[(3,5-dichlorophenyl)methyl]-3-phenyl-N-(pyridin-3-ylmethyl)benzamide
CID 168853807
N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 166414550
1-(2-chlorophenyl)-N-(2-cyanoethyl)-3-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 3275127
2-(5-chloro-1H-indol-3-yl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 75435791
3-(2-chlorophenyl)-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea
CID 111022328
N-(4-methyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(pyridin-3-ylmethyl)benzamide
CID 40983351
N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-3,5-dinitrobenzamide
CID 60598595
N-[(2,4-dichlorophenyl)methyl]-3,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide
CID 168853794
N-benzyl-N-(2-hydroxyethyl)-2-pyridin-3-ylacetamide
CID 62689181
N-[(3-chlorophenyl)methyl]-N-methyl-3,5-dinitrobenzamide
CID 27795250

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxyethyl)-5-nitro-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-chloro-N-(2-hydroxyethyl)-5-nitro-N-(pyridin-3-ylmethyl)benzamide (CID 75435792) is 3-chloro-N-(2-hydroxyethyl)-5-nitro-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxyethyl)-5-nitro-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-N-(2-hydroxyethyl)-5-nitro-N-(pyridin-3-ylmethyl)benzamide is O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N(CCO)Cc1cccnc1.
What is the InChIKey of 3-chloro-N-(2-hydroxyethyl)-5-nitro-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is AEXJSPOLJMZEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O4/c16-13-6-12(7-14(8-13)19(22)23)15(21)18(4-5-20)10-11-2-1-3-17-9-11/h1-3,6-9,20H,4-5,10H2.
What are the key properties of 3-chloro-N-(2-hydroxyethyl)-5-nitro-N-(pyridin-3-ylmethyl)benzamide?
3-chloro-N-(2-hydroxyethyl)-5-nitro-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 335.75 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxyethyl)-5-nitro-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 75435792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).