N-(3-nitrophenyl)-3-(2-phenylethoxy)benzamide

C21H18N2O4 — CID 17134273

IUPACN-(3-nitrophenyl)-3-(2-phenylethoxy)benzamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C21H18N2O4/c24-21(22-18-9-5-10-19(15-18)23(25)26)17-8-4-11-20(14-17)27-13-12-16-6-2-1-3-7-16/h1-11,14-15H,12-13H2,(H,22,24)
InChIKeyZNLLZWUMUMFJMC-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.47
Rot. Bonds7

About N-(3-nitrophenyl)-3-(2-phenylethoxy)benzamide

N-(3-nitrophenyl)-3-(2-phenylethoxy)benzamide (PubChem CID 17134273) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(3-nitrophenyl)-3-(2-phenylethoxy)benzamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-3-(2-phenylethoxy)benzamide
PubChem CID17134273
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC NameN-(3-nitrophenyl)-3-(2-phenylethoxy)benzamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C21H18N2O4/c24-21(22-18-9-5-10-19(15-18)23(25)26)17-8-4-11-20(14-17)27-13-12-16-6-2-1-3-7-16/h1-11,14-15H,12-13H2,(H,22,24)
InChIKeyZNLLZWUMUMFJMC-UHFFFAOYSA-N
XLogP4.47
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-nitrophenyl)-3-(2-phenylethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-naphthalen-2-yl-3-(2-phenylethoxy)benzamide
CID 17232036
3-[[3-(2-phenylethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 17197538
N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide
CID 17134436
2-nitro-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142104
3-nitro-N-[2-(2-phenylethoxy)phenyl]benzamide
CID 55674920
N'-[2-(4-nitrophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134509
3-(2-phenoxyethoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235625
N-(3-nitrophenyl)-4-phenoxybenzamide
CID 7965638
N-(4-benzamido-3-methylphenyl)-3-(2-phenylethoxy)benzamide
CID 54781723
3-[[3-(2-phenylethoxy)benzoyl]amino]-N,N-dipropylbenzamide
CID 26162531
1-nitro-3-(2-phenoxyethyl)benzene
CID 54538108
3-[(4-chlorophenoxy)methyl]-N-(3-nitrophenyl)benzamide
CID 1225516

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-3-(2-phenylethoxy)benzamide?
The IUPAC name of N-(3-nitrophenyl)-3-(2-phenylethoxy)benzamide (CID 17134273) is N-(3-nitrophenyl)-3-(2-phenylethoxy)benzamide.
What is the SMILES notation for N-(3-nitrophenyl)-3-(2-phenylethoxy)benzamide?
The canonical SMILES for N-(3-nitrophenyl)-3-(2-phenylethoxy)benzamide is O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(OCCc2ccccc2)c1.
What is the InChIKey of N-(3-nitrophenyl)-3-(2-phenylethoxy)benzamide?
The InChIKey is ZNLLZWUMUMFJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c24-21(22-18-9-5-10-19(15-18)23(25)26)17-8-4-11-20(14-17)27-13-12-16-6-2-1-3-7-16/h1-11,14-15H,12-13H2,(H,22,24).
What are the key properties of N-(3-nitrophenyl)-3-(2-phenylethoxy)benzamide?
N-(3-nitrophenyl)-3-(2-phenylethoxy)benzamide has a molecular weight of 362.39 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-3-(2-phenylethoxy)benzamide is sourced from PubChem (CID 17134273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).