3-(2,4-dichlorophenyl)-N-(3-nitrophenyl)prop-2-enamide

C15H10Cl2N2O3 — CID 5185153

IUPAC3-(2,4-dichlorophenyl)-N-(3-nitrophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1Cl)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H10Cl2N2O3/c16-11-6-4-10(14(17)8-11)5-7-15(20)18-12-2-1-3-13(9-12)19(21)22/h1-9H,(H,18,20)
InChIKeyGDLRBERPBFKZQM-UHFFFAOYSA-N
MW337.16 g/mol
LogP4.55
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-N-(3-nitrophenyl)prop-2-enamide

3-(2,4-dichlorophenyl)-N-(3-nitrophenyl)prop-2-enamide (PubChem CID 5185153) has the molecular formula C15H10Cl2N2O3 and a molecular weight of 337.16 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-(3-nitrophenyl)prop-2-enamide
PubChem CID5185153
Molecular FormulaC15H10Cl2N2O3
Molecular Weight337.16 g/mol
Exact Mass336.01
IUPAC Name3-(2,4-dichlorophenyl)-N-(3-nitrophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1Cl)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H10Cl2N2O3/c16-11-6-4-10(14(17)8-11)5-7-15(20)18-12-2-1-3-13(9-12)19(21)22/h1-9H,(H,18,20)
InChIKeyGDLRBERPBFKZQM-UHFFFAOYSA-N
XLogP4.55
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 54.55
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

3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 3487324
N-(3-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 677889
(E)-3-(2,4-dichlorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 872620
3-(2,4-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 3606072
3-(2,4-dichlorophenyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3638700
(E)-3-(2-chloro-3-methoxyphenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 45051319
3-(2,4-dichlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 868727
(E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 6115822
3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide
CID 692536
N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 692314
(E)-N-(3-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 875691
N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]butanamide
CID 4238227

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-(3-nitrophenyl)prop-2-enamide (CID 5185153) is 3-(2,4-dichlorophenyl)-N-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-(3-nitrophenyl)prop-2-enamide is O=C(C=Cc1ccc(Cl)cc1Cl)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-(3-nitrophenyl)prop-2-enamide?
The InChIKey is GDLRBERPBFKZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O3/c16-11-6-4-10(14(17)8-11)5-7-15(20)18-12-2-1-3-13(9-12)19(21)22/h1-9H,(H,18,20).
What are the key properties of 3-(2,4-dichlorophenyl)-N-(3-nitrophenyl)prop-2-enamide?
3-(2,4-dichlorophenyl)-N-(3-nitrophenyl)prop-2-enamide has a molecular weight of 337.16 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 5185153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).