(E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)prop-2-enamide

C21H24FNO — CID 8779107

IUPAC(E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)/C=C/c1cccc(F)c1
InChIInChI=1S/C21H24FNO/c1-14(2)18-9-6-10-19(15(3)4)21(18)23-20(24)12-11-16-7-5-8-17(22)13-16/h5-15H,1-4H3,(H,23,24)/b12-11+
InChIKeyVDFQJVJSMUFTHF-VAWYXSNFSA-N
MW325.43 g/mol
LogP5.72
Rot. Bonds5

About (E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)prop-2-enamide

(E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)prop-2-enamide (PubChem CID 8779107) has the molecular formula C21H24FNO and a molecular weight of 325.43 g/mol. Its IUPAC name is (E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
PubChem CID8779107
Molecular FormulaC21H24FNO
Molecular Weight325.43 g/mol
Exact Mass325.18
IUPAC Name(E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)/C=C/c1cccc(F)c1
InChIInChI=1S/C21H24FNO/c1-14(2)18-9-6-10-19(15(3)4)21(18)23-20(24)12-11-16-7-5-8-17(22)13-16/h5-15H,1-4H3,(H,23,24)/b12-11+
InChIKeyVDFQJVJSMUFTHF-VAWYXSNFSA-N
XLogP5.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.43
LogP ≤ 55.72
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-(3-chlorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide
CID 897743
(E)-3-(3-fluorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 26470085
(E)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)prop-2-enamide
CID 8782179
(E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 8778842
(E)-3-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 9330259
(E)-3-(3-fluorophenyl)-N-pyridin-4-ylprop-2-enamide
CID 39471692
(E)-N-(3-fluorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 785785
(2S,3R)-2-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-hydroxybutanoic acid
CID 93302646
3-(3-fluorophenyl)-N-(3-hydroxybutyl)prop-2-enamide
CID 77037539
N-[4-(dimethylamino)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 78776344
(E)-N-(2-methyl-6-propan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1352164
(E)-N-(3-chloro-2,6-diethylphenyl)-3-(3-fluorophenyl)prop-2-enamide
CID 7920597

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)prop-2-enamide (CID 8779107) is (E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)prop-2-enamide is CC(C)c1cccc(C(C)C)c1NC(=O)/C=C/c1cccc(F)c1.
What is the InChIKey of (E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)prop-2-enamide?
The InChIKey is VDFQJVJSMUFTHF-VAWYXSNFSA-N. The full InChI is InChI=1S/C21H24FNO/c1-14(2)18-9-6-10-19(15(3)4)21(18)23-20(24)12-11-16-7-5-8-17(22)13-16/h5-15H,1-4H3,(H,23,24)/b12-11+.
What are the key properties of (E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)prop-2-enamide?
(E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)prop-2-enamide has a molecular weight of 325.43 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 8779107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).