(E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide

C16H15FN2O2 — CID 39387255

IUPAC(E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1NC(=O)/C=C/c1ccc(F)c(N)c1
InChIInChI=1S/C16H15FN2O2/c1-21-15-5-3-2-4-14(15)19-16(20)9-7-11-6-8-12(17)13(18)10-11/h2-10H,18H2,1H3,(H,19,20)/b9-7+
InChIKeyWPGBZFYMUSDYBK-VQHVLOKHSA-N
MW286.31 g/mol
LogP3.07
Rot. Bonds4

About (E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide

(E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide (PubChem CID 39387255) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is (E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
PubChem CID39387255
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name(E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1NC(=O)/C=C/c1ccc(F)c(N)c1
InChIInChI=1S/C16H15FN2O2/c1-21-15-5-3-2-4-14(15)19-16(20)9-7-11-6-8-12(17)13(18)10-11/h2-10H,18H2,1H3,(H,19,20)/b9-7+
InChIKeyWPGBZFYMUSDYBK-VQHVLOKHSA-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-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 39419191
(E)-3-(3-amino-4-fluorophenyl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide
CID 39456289
3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4047659
(E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 39423073
(Z)-N-(2-aminophenyl)-3-[4-[(2-methoxyanilino)methyl]phenyl]prop-2-enamide
CID 66893904
3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 732806
(E)-3-(3-aminophenyl)-N-(4-fluoro-2-methoxyphenyl)prop-2-enamide
CID 115343780
3-(1,3-benzodioxol-5-yl)-N-(2-methoxyphenyl)prop-2-enamide
CID 3922353
(E)-3-(5-chloro-2-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 17340973
(E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 28867841
3-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide
CID 75910605
2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]-6-methylbenzamide
CID 103597998

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide (CID 39387255) is (E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1NC(=O)/C=C/c1ccc(F)c(N)c1.
What is the InChIKey of (E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is WPGBZFYMUSDYBK-VQHVLOKHSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-21-15-5-3-2-4-14(15)19-16(20)9-7-11-6-8-12(17)13(18)10-11/h2-10H,18H2,1H3,(H,19,20)/b9-7+.
What are the key properties of (E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide?
(E)-3-(3-amino-4-fluorophenyl)-N-(2-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-amino-4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 39387255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).