N-(2-benzylphenyl)-3-(3-nitrophenyl)prop-2-enamide

C22H18N2O3 — CID 4812357

IUPACN-(2-benzylphenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESO=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C22H18N2O3/c25-22(14-13-18-9-6-11-20(16-18)24(26)27)23-21-12-5-4-10-19(21)15-17-7-2-1-3-8-17/h1-14,16H,15H2,(H,23,25)
InChIKeyHRAINOLVGBMSCV-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.84
Rot. Bonds6

About N-(2-benzylphenyl)-3-(3-nitrophenyl)prop-2-enamide

N-(2-benzylphenyl)-3-(3-nitrophenyl)prop-2-enamide (PubChem CID 4812357) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(2-benzylphenyl)-3-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-3-(3-nitrophenyl)prop-2-enamide
PubChem CID4812357
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-(2-benzylphenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESO=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C22H18N2O3/c25-22(14-13-18-9-6-11-20(16-18)24(26)27)23-21-12-5-4-10-19(21)15-17-7-2-1-3-8-17/h1-14,16H,15H2,(H,23,25)
InChIKeyHRAINOLVGBMSCV-UHFFFAOYSA-N
XLogP4.84
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-methylsulfanylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 6213183
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide
CID 73340011
(E)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide
CID 6024979
1-(2-benzylphenyl)-3-(3-nitrophenyl)urea
CID 17267452
(E)-N-(2-ethyl-6-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 874179
(E)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 55801432
N-(2-chloro-4-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 5065196
N-(2-fluoro-5-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4632907
(E)-3-(3-nitrophenyl)-N-[4-(phenylcarbamoylamino)phenyl]prop-2-enamide
CID 18284824
(E)-N-(4-anilinophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 6266202
N-(3-ethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 844866
N-[2-(difluoromethoxy)phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 953075

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-3-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of N-(2-benzylphenyl)-3-(3-nitrophenyl)prop-2-enamide (CID 4812357) is N-(2-benzylphenyl)-3-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for N-(2-benzylphenyl)-3-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for N-(2-benzylphenyl)-3-(3-nitrophenyl)prop-2-enamide is O=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of N-(2-benzylphenyl)-3-(3-nitrophenyl)prop-2-enamide?
The InChIKey is HRAINOLVGBMSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c25-22(14-13-18-9-6-11-20(16-18)24(26)27)23-21-12-5-4-10-19(21)15-17-7-2-1-3-8-17/h1-14,16H,15H2,(H,23,25).
What are the key properties of N-(2-benzylphenyl)-3-(3-nitrophenyl)prop-2-enamide?
N-(2-benzylphenyl)-3-(3-nitrophenyl)prop-2-enamide has a molecular weight of 358.40 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-3-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 4812357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).