(E)-N-(4-anilinophenyl)-3-(3-nitrophenyl)prop-2-enamide

C21H17N3O3 — CID 6266202

IUPAC(E)-N-(4-anilinophenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C21H17N3O3/c25-21(14-9-16-5-4-8-20(15-16)24(26)27)23-19-12-10-18(11-13-19)22-17-6-2-1-3-7-17/h1-15,22H,(H,23,25)/b14-9+
InChIKeyPORKAIZRNNWYLZ-NTEUORMPSA-N
MW359.39 g/mol
LogP4.99
Rot. Bonds6

About (E)-N-(4-anilinophenyl)-3-(3-nitrophenyl)prop-2-enamide

(E)-N-(4-anilinophenyl)-3-(3-nitrophenyl)prop-2-enamide (PubChem CID 6266202) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is (E)-N-(4-anilinophenyl)-3-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-anilinophenyl)-3-(3-nitrophenyl)prop-2-enamide
PubChem CID6266202
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name(E)-N-(4-anilinophenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C21H17N3O3/c25-21(14-9-16-5-4-8-20(15-16)24(26)27)23-19-12-10-18(11-13-19)22-17-6-2-1-3-7-17/h1-15,22H,(H,23,25)/b14-9+
InChIKeyPORKAIZRNNWYLZ-NTEUORMPSA-N
XLogP4.99
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-3-(3-nitrophenyl)-N-[4-(phenylcarbamoylamino)phenyl]prop-2-enamide
CID 18284824
(E)-3-(3-nitrophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5374478
N-(4-anilinophenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 17176013
3-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 5200736
N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 692314
(Z)-N-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 2165621
3-[3-(3-nitrophenyl)prop-2-enoylamino]benzoic acid
CID 54024804
3-(3-nitrophenyl)-N-(phenylcarbamothioyl)prop-2-enamide
CID 884662
(Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide
CID 92909984
N-(3-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 677889
N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]phenyl]butanamide
CID 17202592
(E)-3-(3-nitrophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]prop-2-enamide
CID 38175952

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-anilinophenyl)-3-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-anilinophenyl)-3-(3-nitrophenyl)prop-2-enamide (CID 6266202) is (E)-N-(4-anilinophenyl)-3-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-anilinophenyl)-3-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-anilinophenyl)-3-(3-nitrophenyl)prop-2-enamide is O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of (E)-N-(4-anilinophenyl)-3-(3-nitrophenyl)prop-2-enamide?
The InChIKey is PORKAIZRNNWYLZ-NTEUORMPSA-N. The full InChI is InChI=1S/C21H17N3O3/c25-21(14-9-16-5-4-8-20(15-16)24(26)27)23-19-12-10-18(11-13-19)22-17-6-2-1-3-7-17/h1-15,22H,(H,23,25)/b14-9+.
What are the key properties of (E)-N-(4-anilinophenyl)-3-(3-nitrophenyl)prop-2-enamide?
(E)-N-(4-anilinophenyl)-3-(3-nitrophenyl)prop-2-enamide has a molecular weight of 359.39 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-anilinophenyl)-3-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 6266202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).