(E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide

C17H16ClNO — CID 2591543

IUPAC(E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
SMILESCCc1cccc(NC(=O)/C=C/c2cccc(Cl)c2)c1
InChIInChI=1S/C17H16ClNO/c1-2-13-5-4-8-16(12-13)19-17(20)10-9-14-6-3-7-15(18)11-14/h3-12H,2H2,1H3,(H,19,20)/b10-9+
InChIKeyRCQILRFUUDZSAF-MDZDMXLPSA-N
MW285.77 g/mol
LogP4.55
Rot. Bonds4

About (E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide

(E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide (PubChem CID 2591543) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
PubChem CID2591543
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name(E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
SMILESCCc1cccc(NC(=O)/C=C/c2cccc(Cl)c2)c1
InChIInChI=1S/C17H16ClNO/c1-2-13-5-4-8-16(12-13)19-17(20)10-9-14-6-3-7-15(18)11-14/h3-12H,2H2,1H3,(H,19,20)/b10-9+
InChIKeyRCQILRFUUDZSAF-MDZDMXLPSA-N
XLogP4.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-chloro-3-nitrophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 7699851
(E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 6115822
3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489
(E)-N-(3-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6161453
N-(3-ethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 844866
(E)-3-(3-chlorophenyl)-N-(3-iodophenyl)prop-2-enamide
CID 7928421
(Z)-3-(2-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 2169951
3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 3527229
methyl 4-[(E)-3-(3-ethylanilino)-3-oxoprop-1-enyl]benzoate
CID 26736487
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
(E)-N-(4-anilinophenyl)-3-(3-chlorophenyl)prop-2-enamide
CID 6028032
3-(3-chlorophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 5186373

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide (CID 2591543) is (E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide is CCc1cccc(NC(=O)/C=C/c2cccc(Cl)c2)c1.
What is the InChIKey of (E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide?
The InChIKey is RCQILRFUUDZSAF-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-2-13-5-4-8-16(12-13)19-17(20)10-9-14-6-3-7-15(18)11-14/h3-12H,2H2,1H3,(H,19,20)/b10-9+.
What are the key properties of (E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide?
(E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide has a molecular weight of 285.77 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide is sourced from PubChem (CID 2591543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).