N-(2-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide

C15H11IN2O3 — CID 4591037

IUPACN-(2-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1I
InChIInChI=1S/C15H11IN2O3/c16-13-3-1-2-4-14(13)17-15(19)10-7-11-5-8-12(9-6-11)18(20)21/h1-10H,(H,17,19)
InChIKeyXHWTTWKHZCFIFG-UHFFFAOYSA-N
MW394.17 g/mol
LogP3.85
Rot. Bonds4

About N-(2-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide

N-(2-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 4591037) has the molecular formula C15H11IN2O3 and a molecular weight of 394.17 g/mol. Its IUPAC name is N-(2-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide
PubChem CID4591037
Molecular FormulaC15H11IN2O3
Molecular Weight394.17 g/mol
Exact Mass393.98
IUPAC NameN-(2-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1I
InChIInChI=1S/C15H11IN2O3/c16-13-3-1-2-4-14(13)17-15(19)10-7-11-5-8-12(9-6-11)18(20)21/h1-10H,(H,17,19)
InChIKeyXHWTTWKHZCFIFG-UHFFFAOYSA-N
XLogP3.85
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.17
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'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

3-(4-nitrophenyl)-N-[3-[3-(4-nitrophenyl)prop-2-enoylamino]naphthalen-2-yl]prop-2-enamide
CID 3974611
3-(4-nitrophenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide
CID 91942402
(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286
(Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide
CID 92909984
(E)-N-(2-fluoro-4-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 84550562
N-(2-methyl-5-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 5053841
(Z)-N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 20834743
N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 3127031
N-(2-methylpropyl)-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 37003737
4-[2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]phenoxy]benzoic acid
CID 174548810
N-[(2R)-butan-2-yl]-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 26253532
(E)-3-(4-fluorophenyl)-N-(2-nitrophenyl)prop-2-enamide
CID 5348458

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of N-(2-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide (CID 4591037) is N-(2-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for N-(2-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for N-(2-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide is O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1I.
What is the InChIKey of N-(2-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is XHWTTWKHZCFIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IN2O3/c16-13-3-1-2-4-14(13)17-15(19)10-7-11-5-8-12(9-6-11)18(20)21/h1-10H,(H,17,19).
What are the key properties of N-(2-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide?
N-(2-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 394.17 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 4591037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).