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

C16H14N2O3 — CID 690173

IUPACN-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)C=Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H14N2O3/c1-12-6-9-14(10-7-12)17-16(19)11-8-13-4-2-3-5-15(13)18(20)21/h2-11H,1H3,(H,17,19)
InChIKeyITTDNNMGQZVXIE-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.56
Rot. Bonds4

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

N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide (PubChem CID 690173) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide
PubChem CID690173
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)C=Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H14N2O3/c1-12-6-9-14(10-7-12)17-16(19)11-8-13-4-2-3-5-15(13)18(20)21/h2-11H,1H3,(H,17,19)
InChIKeyITTDNNMGQZVXIE-UHFFFAOYSA-N
XLogP3.56
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.56
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

(Z)-N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 2303612
(E)-3-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2684287
[2-(4-methylanilino)-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate
CID 2533920
(E)-3-(2-nitrophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 2678296
(E)-N-(4-methyl-3-sulfamoylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 43019548
propyl 4-[3-(2-nitrophenyl)prop-2-enoylamino]benzoate
CID 4252749
methyl 2-chloro-5-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]benzoate
CID 38236759
N-[4-(butylsulfamoyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 2938761
(E)-N-(3-acetamido-4-methoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 33307679
3-(2-nitrophenyl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]prop-2-enamide
CID 3986724
N-(2-acetylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 73449712
(E)-N'-acetyl-3-(2-nitrophenyl)prop-2-enehydrazide
CID 30769477

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide?
The IUPAC name of N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide (CID 690173) is N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide?
The canonical SMILES for N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide is Cc1ccc(NC(=O)C=Cc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide?
The InChIKey is ITTDNNMGQZVXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-12-6-9-14(10-7-12)17-16(19)11-8-13-4-2-3-5-15(13)18(20)21/h2-11H,1H3,(H,17,19).
What are the key properties of N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide?
N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide has a molecular weight of 282.30 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 690173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).