4-(4-chloro-2-nitrophenoxy)-N-(2-hydroxyethyl)benzamide

C15H13ClN2O5 — CID 78783374

IUPAC4-(4-chloro-2-nitrophenoxy)-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H13ClN2O5/c16-11-3-6-14(13(9-11)18(21)22)23-12-4-1-10(2-5-12)15(20)17-7-8-19/h1-6,9,19H,7-8H2,(H,17,20)
InChIKeyUTEJKVXFWDBVEC-UHFFFAOYSA-N
MW336.73 g/mol
LogP2.76
Rot. Bonds6

About 4-(4-chloro-2-nitrophenoxy)-N-(2-hydroxyethyl)benzamide

4-(4-chloro-2-nitrophenoxy)-N-(2-hydroxyethyl)benzamide (PubChem CID 78783374) has the molecular formula C15H13ClN2O5 and a molecular weight of 336.73 g/mol. Its IUPAC name is 4-(4-chloro-2-nitrophenoxy)-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-(4-chloro-2-nitrophenoxy)-N-(2-hydroxyethyl)benzamide
PubChem CID78783374
Molecular FormulaC15H13ClN2O5
Molecular Weight336.73 g/mol
Exact Mass336.05
IUPAC Name4-(4-chloro-2-nitrophenoxy)-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H13ClN2O5/c16-11-3-6-14(13(9-11)18(21)22)23-12-4-1-10(2-5-12)15(20)17-7-8-19/h1-6,9,19H,7-8H2,(H,17,20)
InChIKeyUTEJKVXFWDBVEC-UHFFFAOYSA-N
XLogP2.76
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.73
LogP ≤ 52.76
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

4-(4-chloro-2-nitrophenoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536756
4-(4-chloro-2-nitrophenoxy)benzamide
CID 9108833
4-(4-chloro-2-nitrophenoxy)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513280
4-(4-chloro-2-nitrophenoxy)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide
CID 55500924
N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]furan-2-carbohydrazide
CID 9476412
[2-(ethylamino)-2-oxoethyl] 4-(4-chloro-2-nitrophenoxy)benzoate
CID 2581235
4-(4-chloro-2-nitrophenoxy)-N-(1-propylpiperidin-1-ium-4-yl)benzamide
CID 9292915
4-(4-chloro-2-nitrophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 9227098
N'-[4-(4-chloro-2-nitrophenoxy)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 26820570
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 4-(4-chloro-2-nitrophenoxy)benzoate
CID 29395314
4-(4-chloro-2-nitrophenoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 26918129
4-(4-chloro-2-nitrophenoxy)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55475227

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-nitrophenoxy)-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-(4-chloro-2-nitrophenoxy)-N-(2-hydroxyethyl)benzamide (CID 78783374) is 4-(4-chloro-2-nitrophenoxy)-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-(4-chloro-2-nitrophenoxy)-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-(4-chloro-2-nitrophenoxy)-N-(2-hydroxyethyl)benzamide is O=C(NCCO)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-(4-chloro-2-nitrophenoxy)-N-(2-hydroxyethyl)benzamide?
The InChIKey is UTEJKVXFWDBVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O5/c16-11-3-6-14(13(9-11)18(21)22)23-12-4-1-10(2-5-12)15(20)17-7-8-19/h1-6,9,19H,7-8H2,(H,17,20).
What are the key properties of 4-(4-chloro-2-nitrophenoxy)-N-(2-hydroxyethyl)benzamide?
4-(4-chloro-2-nitrophenoxy)-N-(2-hydroxyethyl)benzamide has a molecular weight of 336.73 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-nitrophenoxy)-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 78783374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).