(E)-3-(2-chlorophenyl)-N-(2,6-diethylphenyl)-2-phenylprop-2-enamide

C25H24ClNO — CID 126140872

IUPAC(E)-3-(2-chlorophenyl)-N-(2,6-diethylphenyl)-2-phenylprop-2-enamide
SMILESCCc1cccc(CC)c1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C25H24ClNO/c1-3-18-14-10-15-19(4-2)24(18)27-25(28)22(20-11-6-5-7-12-20)17-21-13-8-9-16-23(21)26/h5-17H,3-4H2,1-2H3,(H,27,28)/b22-17+
InChIKeyWGRFDQDQCNJGJY-OQKWZONESA-N
MW389.93 g/mol
LogP6.64
Rot. Bonds6

About (E)-3-(2-chlorophenyl)-N-(2,6-diethylphenyl)-2-phenylprop-2-enamide

(E)-3-(2-chlorophenyl)-N-(2,6-diethylphenyl)-2-phenylprop-2-enamide (PubChem CID 126140872) has the molecular formula C25H24ClNO and a molecular weight of 389.93 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-(2,6-diethylphenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-(2,6-diethylphenyl)-2-phenylprop-2-enamide
PubChem CID126140872
Molecular FormulaC25H24ClNO
Molecular Weight389.93 g/mol
Exact Mass389.15
IUPAC Name(E)-3-(2-chlorophenyl)-N-(2,6-diethylphenyl)-2-phenylprop-2-enamide
SMILESCCc1cccc(CC)c1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C25H24ClNO/c1-3-18-14-10-15-19(4-2)24(18)27-25(28)22(20-11-6-5-7-12-20)17-21-13-8-9-16-23(21)26/h5-17H,3-4H2,1-2H3,(H,27,28)/b22-17+
InChIKeyWGRFDQDQCNJGJY-OQKWZONESA-N
XLogP6.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.93
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetylphenyl)-3-(2-chlorophenyl)-2-phenylprop-2-enamide
CID 1320171
(E)-3-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-2-phenylprop-2-enamide
CID 2175514
(E)-N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)-2-phenylprop-2-enamide
CID 807795
(E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1334364
3-(2-chlorophenyl)-N-(2,5-dimethylphenyl)-2-phenylprop-2-enamide
CID 2915971
(E)-3-(2-chlorophenyl)-N-[(2S)-3-methylbutan-2-yl]-2-phenylprop-2-enamide
CID 100561841
(E)-3-(2-chlorophenyl)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-phenylprop-2-enamide
CID 28589712
3-(2-chlorophenyl)-N-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 1322752
2-(2,6-dichlorophenyl)-N-(2,6-diethylphenyl)acetamide
CID 7700454
3-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-2-phenylprop-2-enamide
CID 4191533
(E)-3-(2-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]-2-phenylprop-2-enamide
CID 38000686
1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea
CID 4994979

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-(2,6-diethylphenyl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-(2,6-diethylphenyl)-2-phenylprop-2-enamide (CID 126140872) is (E)-3-(2-chlorophenyl)-N-(2,6-diethylphenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-(2,6-diethylphenyl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-(2,6-diethylphenyl)-2-phenylprop-2-enamide is CCc1cccc(CC)c1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-(2,6-diethylphenyl)-2-phenylprop-2-enamide?
The InChIKey is WGRFDQDQCNJGJY-OQKWZONESA-N. The full InChI is InChI=1S/C25H24ClNO/c1-3-18-14-10-15-19(4-2)24(18)27-25(28)22(20-11-6-5-7-12-20)17-21-13-8-9-16-23(21)26/h5-17H,3-4H2,1-2H3,(H,27,28)/b22-17+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-(2,6-diethylphenyl)-2-phenylprop-2-enamide?
(E)-3-(2-chlorophenyl)-N-(2,6-diethylphenyl)-2-phenylprop-2-enamide has a molecular weight of 389.93 g/mol, XLogP of 6.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-(2,6-diethylphenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 126140872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).