N-(2-hydroxyethyl)-3-[2-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide

C24H24N2O5 — CID 23209938

IUPACN-(2-hydroxyethyl)-3-[2-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide
SMILESO=C(NCCO)c1cccc(CCc2cc([N+](=O)[O-])ccc2OCc2ccccc2)c1
InChIInChI=1S/C24H24N2O5/c27-14-13-25-24(28)21-8-4-7-18(15-21)9-10-20-16-22(26(29)30)11-12-23(20)31-17-19-5-2-1-3-6-19/h1-8,11-12,15-16,27H,9-10,13-14,17H2,(H,25,28)
InChIKeyRXAFRMVEVDALRX-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.68
Rot. Bonds10

About N-(2-hydroxyethyl)-3-[2-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide

N-(2-hydroxyethyl)-3-[2-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide (PubChem CID 23209938) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[2-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[2-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide
PubChem CID23209938
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC NameN-(2-hydroxyethyl)-3-[2-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide
SMILESO=C(NCCO)c1cccc(CCc2cc([N+](=O)[O-])ccc2OCc2ccccc2)c1
InChIInChI=1S/C24H24N2O5/c27-14-13-25-24(28)21-8-4-7-18(15-21)9-10-20-16-22(26(29)30)11-12-23(20)31-17-19-5-2-1-3-6-19/h1-8,11-12,15-16,27H,9-10,13-14,17H2,(H,25,28)
InChIKeyRXAFRMVEVDALRX-UHFFFAOYSA-N
XLogP3.68
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.68
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

N-(2-hydroxyethyl)-3-[1-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide
CID 67659630
3-[(2-chloro-4-nitrophenoxy)methyl]-N-phenylbenzamide
CID 52688047
(2S)-3-(5-nitro-2-phenylmethoxyphenyl)propane-1,2-diol
CID 11738205
3-nitro-N-[2-oxo-2-[2-(4-phenylmethoxyphenyl)ethylamino]ethyl]benzamide
CID 55847377
N-[2-(3,4-diethoxyphenyl)ethyl]-3-nitrobenzamide
CID 8781305
N-(2-hydroxyethyl)-4-[(2-phenylmethoxyphenyl)methylsulfanyl]benzamide
CID 18789573
N-(2-hydroxyethyl)-3,5-bis(phenylmethoxy)benzamide
CID 171338561
N-benzyl-3-nitro(11C)benzamide
CID 71606846
tert-butyl 4-[2-(5-nitro-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxylate
CID 67659574
N-(2-hydroxyethyl)-3-[(4-nitrophenyl)methylamino]benzamide
CID 111601554
[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]methanol
CID 43472956
3-nitro-N-[2-oxo-2-[(3-phenylmethoxyphenyl)methylamino]ethyl]benzamide
CID 60515233

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[2-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[2-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide (CID 23209938) is N-(2-hydroxyethyl)-3-[2-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[2-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[2-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide is O=C(NCCO)c1cccc(CCc2cc([N+](=O)[O-])ccc2OCc2ccccc2)c1.
What is the InChIKey of N-(2-hydroxyethyl)-3-[2-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide?
The InChIKey is RXAFRMVEVDALRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c27-14-13-25-24(28)21-8-4-7-18(15-21)9-10-20-16-22(26(29)30)11-12-23(20)31-17-19-5-2-1-3-6-19/h1-8,11-12,15-16,27H,9-10,13-14,17H2,(H,25,28).
What are the key properties of N-(2-hydroxyethyl)-3-[2-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide?
N-(2-hydroxyethyl)-3-[2-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide has a molecular weight of 420.47 g/mol, XLogP of 3.68, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[2-(5-nitro-2-phenylmethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 23209938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).