(Z)-3-(2-aminophenyl)-2-(4-fluorophenyl)prop-2-enoic acid

C15H12FNO2 — CID 5376034

IUPAC(Z)-3-(2-aminophenyl)-2-(4-fluorophenyl)prop-2-enoic acid
SMILESNc1ccccc1/C=C(\C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C15H12FNO2/c16-12-7-5-10(6-8-12)13(15(18)19)9-11-3-1-2-4-14(11)17/h1-9H,17H2,(H,18,19)/b13-9-
InChIKeyJHAMSXXEJUYTRC-LCYFTJDESA-N
MW257.26 g/mol
LogP3.03
Rot. Bonds3

About (Z)-3-(2-aminophenyl)-2-(4-fluorophenyl)prop-2-enoic acid

(Z)-3-(2-aminophenyl)-2-(4-fluorophenyl)prop-2-enoic acid (PubChem CID 5376034) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is (Z)-3-(2-aminophenyl)-2-(4-fluorophenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(2-aminophenyl)-2-(4-fluorophenyl)prop-2-enoic acid
PubChem CID5376034
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name(Z)-3-(2-aminophenyl)-2-(4-fluorophenyl)prop-2-enoic acid
SMILESNc1ccccc1/C=C(\C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C15H12FNO2/c16-12-7-5-10(6-8-12)13(15(18)19)9-11-3-1-2-4-14(11)17/h1-9H,17H2,(H,18,19)/b13-9-
InChIKeyJHAMSXXEJUYTRC-LCYFTJDESA-N
XLogP3.03
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(2-aminophenyl)-2-[3-[(Z)-2-(2-aminophenyl)-1-carboxyethenyl]phenyl]prop-2-enoic acid
CID 95564600
2-(4-fluorophenyl)-3-hydroxyprop-2-enoic acid
CID 70352167
(Z)-3-(3-fluorophenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 83952444
(E)-3-(4-fluorophenyl)-2-phenylprop-2-enamide
CID 143788197
methyl (E)-3-(2-aminophenyl)-2-(3-fluorophenyl)prop-2-enoate
CID 10852277
2-(2,2-diphenylethenyl)aniline
CID 18963673
2-(4-chlorophenyl)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5053670
(Z)-2-phenyl-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid
CID 43352799
(4-fluorophenyl)-phenylmethanone
CID 161464622
(E)-3-(4-fluorophenyl)-1,2-diphenylprop-2-en-1-one
CID 5388476
(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-fluorophenyl)prop-2-enoic acid
CID 83951037
2-(4-fluorophenyl)-4-oxopent-2-enoic acid
CID 142782295

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-aminophenyl)-2-(4-fluorophenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(2-aminophenyl)-2-(4-fluorophenyl)prop-2-enoic acid (CID 5376034) is (Z)-3-(2-aminophenyl)-2-(4-fluorophenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(2-aminophenyl)-2-(4-fluorophenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(2-aminophenyl)-2-(4-fluorophenyl)prop-2-enoic acid is Nc1ccccc1/C=C(\C(=O)O)c1ccc(F)cc1.
What is the InChIKey of (Z)-3-(2-aminophenyl)-2-(4-fluorophenyl)prop-2-enoic acid?
The InChIKey is JHAMSXXEJUYTRC-LCYFTJDESA-N. The full InChI is InChI=1S/C15H12FNO2/c16-12-7-5-10(6-8-12)13(15(18)19)9-11-3-1-2-4-14(11)17/h1-9H,17H2,(H,18,19)/b13-9-.
What are the key properties of (Z)-3-(2-aminophenyl)-2-(4-fluorophenyl)prop-2-enoic acid?
(Z)-3-(2-aminophenyl)-2-(4-fluorophenyl)prop-2-enoic acid has a molecular weight of 257.26 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-aminophenyl)-2-(4-fluorophenyl)prop-2-enoic acid is sourced from PubChem (CID 5376034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).