1-(4-fluorophenyl)-3-(4-iodoanilino)prop-2-en-1-one

C15H11FINO — CID 171157335

IUPAC1-(4-fluorophenyl)-3-(4-iodoanilino)prop-2-en-1-one
SMILESO=C(C=CNc1ccc(I)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H11FINO/c16-12-3-1-11(2-4-12)15(19)9-10-18-14-7-5-13(17)6-8-14/h1-10,18H
InChIKeyVYUQQDOPGVJGTN-UHFFFAOYSA-N
MW367.16 g/mol
LogP4.24
Rot. Bonds4

About 1-(4-fluorophenyl)-3-(4-iodoanilino)prop-2-en-1-one

1-(4-fluorophenyl)-3-(4-iodoanilino)prop-2-en-1-one (PubChem CID 171157335) has the molecular formula C15H11FINO and a molecular weight of 367.16 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(4-iodoanilino)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(4-iodoanilino)prop-2-en-1-one
PubChem CID171157335
Molecular FormulaC15H11FINO
Molecular Weight367.16 g/mol
Exact Mass366.99
IUPAC Name1-(4-fluorophenyl)-3-(4-iodoanilino)prop-2-en-1-one
SMILESO=C(C=CNc1ccc(I)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H11FINO/c16-12-3-1-11(2-4-12)15(19)9-10-18-14-7-5-13(17)6-8-14/h1-10,18H
InChIKeyVYUQQDOPGVJGTN-UHFFFAOYSA-N
XLogP4.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.16
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]phenyl]acetamide
CID 19580690
(E)-3-(4-iodoanilino)-1-(4-pentylphenyl)prop-2-en-1-one
CID 126358121
(E)-3-(4-methylanilino)-1-(4-methylphenyl)prop-2-en-1-one
CID 2267437
(E)-1-(3,4-dimethoxyphenyl)-3-(4-fluoroanilino)prop-2-en-1-one
CID 2290472
(E)-3-(3,4-dimethoxyanilino)-1-(4-fluorophenyl)prop-2-en-1-one
CID 882690
(E)-3-(4-fluoroanilino)prop-2-enoic acid
CID 103234514
3-(4-fluoroanilino)-1-(4-hexoxyphenyl)prop-2-en-1-one
CID 71350265
1-(4-fluorophenyl)-3-(4-iodoanilino)but-2-en-1-one
CID 1100946
(Z)-3-(2,4-difluoroanilino)-1-(4-fluorophenyl)prop-2-en-1-one
CID 18527574
3-(4-iodoanilino)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 988320
(Z)-3-(4-nitroanilino)-1-(4-nitrophenyl)prop-2-en-1-one
CID 164677849
(E)-3-(4-fluoroanilino)-1-(10H-phenothiazin-2-yl)prop-2-en-1-one
CID 172638878

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(4-iodoanilino)prop-2-en-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(4-iodoanilino)prop-2-en-1-one (CID 171157335) is 1-(4-fluorophenyl)-3-(4-iodoanilino)prop-2-en-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(4-iodoanilino)prop-2-en-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(4-iodoanilino)prop-2-en-1-one is O=C(C=CNc1ccc(I)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(4-iodoanilino)prop-2-en-1-one?
The InChIKey is VYUQQDOPGVJGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FINO/c16-12-3-1-11(2-4-12)15(19)9-10-18-14-7-5-13(17)6-8-14/h1-10,18H.
What are the key properties of 1-(4-fluorophenyl)-3-(4-iodoanilino)prop-2-en-1-one?
1-(4-fluorophenyl)-3-(4-iodoanilino)prop-2-en-1-one has a molecular weight of 367.16 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(4-iodoanilino)prop-2-en-1-one is sourced from PubChem (CID 171157335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).