(E)-N-(4-chloro-2-nitrophenyl)-3-(4-chlorophenyl)prop-2-enamide

C15H10Cl2N2O3 — CID 6293145

IUPAC(E)-N-(4-chloro-2-nitrophenyl)-3-(4-chlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H10Cl2N2O3/c16-11-4-1-10(2-5-11)3-8-15(20)18-13-7-6-12(17)9-14(13)19(21)22/h1-9H,(H,18,20)/b8-3+
InChIKeyDMCJOMSDTCDEMH-FPYGCLRLSA-N
MW337.16 g/mol
LogP4.55
Rot. Bonds4

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

(E)-N-(4-chloro-2-nitrophenyl)-3-(4-chlorophenyl)prop-2-enamide (PubChem CID 6293145) has the molecular formula C15H10Cl2N2O3 and a molecular weight of 337.16 g/mol. Its IUPAC name is (E)-N-(4-chloro-2-nitrophenyl)-3-(4-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-chloro-2-nitrophenyl)-3-(4-chlorophenyl)prop-2-enamide
PubChem CID6293145
Molecular FormulaC15H10Cl2N2O3
Molecular Weight337.16 g/mol
Exact Mass336.01
IUPAC Name(E)-N-(4-chloro-2-nitrophenyl)-3-(4-chlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H10Cl2N2O3/c16-11-4-1-10(2-5-11)3-8-15(20)18-13-7-6-12(17)9-14(13)19(21)22/h1-9H,(H,18,20)/b8-3+
InChIKeyDMCJOMSDTCDEMH-FPYGCLRLSA-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

(E)-N-(4-chloro-2-nitrophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 84550557
(E)-3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2-nitrophenyl)prop-2-enamide
CID 19168176
N-[(4-chloro-2-nitrophenyl)carbamothioyl]-3-(4-methylphenyl)prop-2-enamide
CID 4948422
(E)-3-(3-chlorophenyl)-N-(2,4-dinitrophenyl)prop-2-enamide
CID 6060588
(E)-3-(4-hydroxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide
CID 84552112
N-(4-methoxy-2-nitrophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 2931371
3-(4-chloro-3-nitrophenyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]prop-2-enamide
CID 4512953
3-(4-chlorophenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 898455
3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide
CID 3324390
4-chloro-2-[3-(4-nitrophenyl)prop-2-enoylamino]benzoic acid
CID 54421406
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 8663913
N-(2-benzoyl-4-chlorophenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide
CID 4512617

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-chloro-2-nitrophenyl)-3-(4-chlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-chloro-2-nitrophenyl)-3-(4-chlorophenyl)prop-2-enamide (CID 6293145) is (E)-N-(4-chloro-2-nitrophenyl)-3-(4-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-chloro-2-nitrophenyl)-3-(4-chlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-chloro-2-nitrophenyl)-3-(4-chlorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of (E)-N-(4-chloro-2-nitrophenyl)-3-(4-chlorophenyl)prop-2-enamide?
The InChIKey is DMCJOMSDTCDEMH-FPYGCLRLSA-N. The full InChI is InChI=1S/C15H10Cl2N2O3/c16-11-4-1-10(2-5-11)3-8-15(20)18-13-7-6-12(17)9-14(13)19(21)22/h1-9H,(H,18,20)/b8-3+.
What are the key properties of (E)-N-(4-chloro-2-nitrophenyl)-3-(4-chlorophenyl)prop-2-enamide?
(E)-N-(4-chloro-2-nitrophenyl)-3-(4-chlorophenyl)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 (E)-N-(4-chloro-2-nitrophenyl)-3-(4-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 6293145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).