(E)-3-(3-aminophenyl)-N-(4-fluoro-3-methoxyphenyl)prop-2-enamide

C16H15FN2O2 — CID 114839695

IUPAC(E)-3-(3-aminophenyl)-N-(4-fluoro-3-methoxyphenyl)prop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2cccc(N)c2)ccc1F
InChIInChI=1S/C16H15FN2O2/c1-21-15-10-13(6-7-14(15)17)19-16(20)8-5-11-3-2-4-12(18)9-11/h2-10H,18H2,1H3,(H,19,20)/b8-5+
InChIKeyHGTUYEUZAOSCSA-VMPITWQZSA-N
MW286.31 g/mol
LogP3.07
Rot. Bonds4

About (E)-3-(3-aminophenyl)-N-(4-fluoro-3-methoxyphenyl)prop-2-enamide

(E)-3-(3-aminophenyl)-N-(4-fluoro-3-methoxyphenyl)prop-2-enamide (PubChem CID 114839695) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-(4-fluoro-3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-(4-fluoro-3-methoxyphenyl)prop-2-enamide
PubChem CID114839695
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name(E)-3-(3-aminophenyl)-N-(4-fluoro-3-methoxyphenyl)prop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2cccc(N)c2)ccc1F
InChIInChI=1S/C16H15FN2O2/c1-21-15-10-13(6-7-14(15)17)19-16(20)8-5-11-3-2-4-12(18)9-11/h2-10H,18H2,1H3,(H,19,20)/b8-5+
InChIKeyHGTUYEUZAOSCSA-VMPITWQZSA-N
XLogP3.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-aminophenyl)-N-(4-fluoro-2-methoxyphenyl)prop-2-enamide
CID 115343780
(E)-3-(3-aminophenyl)-N-(4-hydroxy-3-methylphenyl)prop-2-enamide
CID 115344816
N-(3-amino-4-methoxyphenyl)-3-phenylprop-2-enamide
CID 74572950
(E)-3-(3-aminophenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 39406540
3-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]benzamide
CID 73391551
(E)-3-(4-aminophenyl)-N-(4-chloro-3-methoxyphenyl)prop-2-enamide
CID 107621799
(E)-3-(3-aminophenyl)-N-(4-bromo-3-chlorophenyl)prop-2-enamide
CID 107620216
(E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 39387255
(E)-N-(5-acetamido-2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 39976511
(E)-3-(3-aminophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 115342730
(E)-3-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 115342604
(E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 897806

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-(4-fluoro-3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-(4-fluoro-3-methoxyphenyl)prop-2-enamide (CID 114839695) is (E)-3-(3-aminophenyl)-N-(4-fluoro-3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-(4-fluoro-3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-(4-fluoro-3-methoxyphenyl)prop-2-enamide is COc1cc(NC(=O)/C=C/c2cccc(N)c2)ccc1F.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-(4-fluoro-3-methoxyphenyl)prop-2-enamide?
The InChIKey is HGTUYEUZAOSCSA-VMPITWQZSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-21-15-10-13(6-7-14(15)17)19-16(20)8-5-11-3-2-4-12(18)9-11/h2-10H,18H2,1H3,(H,19,20)/b8-5+.
What are the key properties of (E)-3-(3-aminophenyl)-N-(4-fluoro-3-methoxyphenyl)prop-2-enamide?
(E)-3-(3-aminophenyl)-N-(4-fluoro-3-methoxyphenyl)prop-2-enamide has a molecular weight of 286.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-N-(4-fluoro-3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 114839695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).