(Z)-3-(3-amino-4-ethoxyphenyl)-N-(2,5-difluorophenyl)prop-2-enamide

C17H16F2N2O2 — CID 94760327

IUPAC(Z)-3-(3-amino-4-ethoxyphenyl)-N-(2,5-difluorophenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C\C(=O)Nc2cc(F)ccc2F)cc1N
InChIInChI=1S/C17H16F2N2O2/c1-2-23-16-7-3-11(9-14(16)20)4-8-17(22)21-15-10-12(18)5-6-13(15)19/h3-10H,2,20H2,1H3,(H,21,22)/b8-4-
InChIKeyXEALOPCCZGQVAT-YWEYNIOJSA-N
MW318.32 g/mol
LogP3.60
Rot. Bonds5

About (Z)-3-(3-amino-4-ethoxyphenyl)-N-(2,5-difluorophenyl)prop-2-enamide

(Z)-3-(3-amino-4-ethoxyphenyl)-N-(2,5-difluorophenyl)prop-2-enamide (PubChem CID 94760327) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is (Z)-3-(3-amino-4-ethoxyphenyl)-N-(2,5-difluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-amino-4-ethoxyphenyl)-N-(2,5-difluorophenyl)prop-2-enamide
PubChem CID94760327
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name(Z)-3-(3-amino-4-ethoxyphenyl)-N-(2,5-difluorophenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C\C(=O)Nc2cc(F)ccc2F)cc1N
InChIInChI=1S/C17H16F2N2O2/c1-2-23-16-7-3-11(9-14(16)20)4-8-17(22)21-15-10-12(18)5-6-13(15)19/h3-10H,2,20H2,1H3,(H,21,22)/b8-4-
InChIKeyXEALOPCCZGQVAT-YWEYNIOJSA-N
XLogP3.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.60
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

(Z)-3-(3-amino-4-ethoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide
CID 94760326
(E)-3-(3-amino-4-fluorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 39423072
(E)-N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 7770255
3-(4-ethoxy-3-methoxyphenyl)-N-(2-fluoro-5-nitrophenyl)prop-2-enamide
CID 76860578
(Z)-3-(3-amino-4-ethoxyphenyl)prop-2-enoic acid
CID 82152615
N-(4-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 732824
(E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 39387255
(E)-N-(2,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 17419491
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(4-fluorophenyl)prop-2-enamide
CID 8744762
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-fluorophenyl)prop-2-enamide
CID 94760334
3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 732806
(E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 39423073

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-amino-4-ethoxyphenyl)-N-(2,5-difluorophenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(3-amino-4-ethoxyphenyl)-N-(2,5-difluorophenyl)prop-2-enamide (CID 94760327) is (Z)-3-(3-amino-4-ethoxyphenyl)-N-(2,5-difluorophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(3-amino-4-ethoxyphenyl)-N-(2,5-difluorophenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(3-amino-4-ethoxyphenyl)-N-(2,5-difluorophenyl)prop-2-enamide is CCOc1ccc(/C=C\C(=O)Nc2cc(F)ccc2F)cc1N.
What is the InChIKey of (Z)-3-(3-amino-4-ethoxyphenyl)-N-(2,5-difluorophenyl)prop-2-enamide?
The InChIKey is XEALOPCCZGQVAT-YWEYNIOJSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-2-23-16-7-3-11(9-14(16)20)4-8-17(22)21-15-10-12(18)5-6-13(15)19/h3-10H,2,20H2,1H3,(H,21,22)/b8-4-.
What are the key properties of (Z)-3-(3-amino-4-ethoxyphenyl)-N-(2,5-difluorophenyl)prop-2-enamide?
(Z)-3-(3-amino-4-ethoxyphenyl)-N-(2,5-difluorophenyl)prop-2-enamide has a molecular weight of 318.32 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-amino-4-ethoxyphenyl)-N-(2,5-difluorophenyl)prop-2-enamide is sourced from PubChem (CID 94760327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).