N-benzhydryl-2-(3-formyl-4-nitrophenoxy)propanamide

C23H20N2O5 — CID 57253721

IUPACN-benzhydryl-2-(3-formyl-4-nitrophenoxy)propanamide
SMILESCC(Oc1ccc([N+](=O)[O-])c(C=O)c1)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N2O5/c1-16(30-20-12-13-21(25(28)29)19(14-20)15-26)23(27)24-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16,22H,1H3,(H,24,27)
InChIKeyIVFDKBPDFLMUCS-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.08
Rot. Bonds8

About N-benzhydryl-2-(3-formyl-4-nitrophenoxy)propanamide

N-benzhydryl-2-(3-formyl-4-nitrophenoxy)propanamide (PubChem CID 57253721) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is N-benzhydryl-2-(3-formyl-4-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-benzhydryl-2-(3-formyl-4-nitrophenoxy)propanamide
PubChem CID57253721
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC NameN-benzhydryl-2-(3-formyl-4-nitrophenoxy)propanamide
SMILESCC(Oc1ccc([N+](=O)[O-])c(C=O)c1)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N2O5/c1-16(30-20-12-13-21(25(28)29)19(14-20)15-26)23(27)24-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16,22H,1H3,(H,24,27)
InChIKeyIVFDKBPDFLMUCS-UHFFFAOYSA-N
XLogP4.08
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-benzhydryl-2-(3-formyl-4-nitrophenoxy)propanamide 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-benzhydryl-2-(4-phenylphenoxy)propanamide
CID 19191531
(2R)-N-benzhydryl-2-(4-bromophenoxy)propanamide
CID 7930955
(2R)-2-(4-methylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28572884
N-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide
CID 132656978
N-benzhydryl-2-(3-methylphenoxy)propanamide
CID 15978225
(2S)-N-benzhydryl-2-(4-propanoylphenoxy)propanamide
CID 8604783
[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 3-nitrobenzoate
CID 7769143
5-(2-methylpropoxy)-2-nitrobenzaldehyde
CID 21469084
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 43877208
(2S)-2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28580247
N-[1-(3-nitrophenyl)ethyl]-2-(4-phenylphenoxy)propanamide
CID 55876472
2-(5-formyl-2-nitrophenoxy)-N-propan-2-ylpropanamide
CID 62114325

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(3-formyl-4-nitrophenoxy)propanamide?
The IUPAC name of N-benzhydryl-2-(3-formyl-4-nitrophenoxy)propanamide (CID 57253721) is N-benzhydryl-2-(3-formyl-4-nitrophenoxy)propanamide.
What is the SMILES notation for N-benzhydryl-2-(3-formyl-4-nitrophenoxy)propanamide?
The canonical SMILES for N-benzhydryl-2-(3-formyl-4-nitrophenoxy)propanamide is CC(Oc1ccc([N+](=O)[O-])c(C=O)c1)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-(3-formyl-4-nitrophenoxy)propanamide?
The InChIKey is IVFDKBPDFLMUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5/c1-16(30-20-12-13-21(25(28)29)19(14-20)15-26)23(27)24-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16,22H,1H3,(H,24,27).
What are the key properties of N-benzhydryl-2-(3-formyl-4-nitrophenoxy)propanamide?
N-benzhydryl-2-(3-formyl-4-nitrophenoxy)propanamide has a molecular weight of 404.42 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(3-formyl-4-nitrophenoxy)propanamide is sourced from PubChem (CID 57253721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).