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

C15H9Cl2FN2O3 — CID 26309297

IUPAC(E)-N-(3-chloro-2-fluorophenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(Cl)c1F
InChIInChI=1S/C15H9Cl2FN2O3/c16-10-6-4-9(8-13(10)20(22)23)5-7-14(21)19-12-3-1-2-11(17)15(12)18/h1-8H,(H,19,21)/b7-5+
InChIKeySSGODAZRKDNXHZ-FNORWQNLSA-N
MW355.15 g/mol
LogP4.69
Rot. Bonds4

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

(E)-N-(3-chloro-2-fluorophenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide (PubChem CID 26309297) has the molecular formula C15H9Cl2FN2O3 and a molecular weight of 355.15 g/mol. Its IUPAC name is (E)-N-(3-chloro-2-fluorophenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-chloro-2-fluorophenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide
PubChem CID26309297
Molecular FormulaC15H9Cl2FN2O3
Molecular Weight355.15 g/mol
Exact Mass354.00
IUPAC Name(E)-N-(3-chloro-2-fluorophenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(Cl)c1F
InChIInChI=1S/C15H9Cl2FN2O3/c16-10-6-4-9(8-13(10)20(22)23)5-7-14(21)19-12-3-1-2-11(17)15(12)18/h1-8H,(H,19,21)/b7-5+
InChIKeySSGODAZRKDNXHZ-FNORWQNLSA-N
XLogP4.69
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.15
LogP ≤ 54.69
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-(4-chloro-3-nitrophenyl)-N-(2-cyanophenyl)prop-2-enamide
CID 960318
(E)-3-(4-chloro-3-nitrophenyl)-N-[2-(difluoromethylsulfanyl)phenyl]prop-2-enamide
CID 98601374
N-(3-chloro-4-fluorophenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide
CID 1327932
3-(4-chloro-3-nitrophenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
CID 1302629
3-(4-chloro-3-nitrophenyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]prop-2-enamide
CID 4512953
S-[2-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56576785
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(4-chloro-3-nitrophenyl)prop-2-enamide
CID 5213193
3-(4-chloro-3-nitrophenyl)-N-[4-iodo-2-(trifluoromethyl)phenyl]prop-2-enamide
CID 3917482
(E)-3-(4-chloro-3-nitrophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 7699851
2-chloro-5-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]benzoic acid
CID 28677711
N-(5-chloro-2-methoxyphenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide
CID 1327874
(E)-3-(4-chloro-3-nitrophenyl)-N-(3-methylsulfonylphenyl)prop-2-enamide
CID 27334931

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-chloro-2-fluorophenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-chloro-2-fluorophenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide (CID 26309297) is (E)-N-(3-chloro-2-fluorophenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-chloro-2-fluorophenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-chloro-2-fluorophenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(Cl)c1F.
What is the InChIKey of (E)-N-(3-chloro-2-fluorophenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide?
The InChIKey is SSGODAZRKDNXHZ-FNORWQNLSA-N. The full InChI is InChI=1S/C15H9Cl2FN2O3/c16-10-6-4-9(8-13(10)20(22)23)5-7-14(21)19-12-3-1-2-11(17)15(12)18/h1-8H,(H,19,21)/b7-5+.
What are the key properties of (E)-N-(3-chloro-2-fluorophenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide?
(E)-N-(3-chloro-2-fluorophenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide has a molecular weight of 355.15 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-chloro-2-fluorophenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 26309297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).