(Z)-3-fluoro-2-[(4-methoxyphenyl)methyl]prop-2-enamide;hydrochloride

C11H13ClFNO2 — CID 175784695

IUPAC(Z)-3-fluoro-2-[(4-methoxyphenyl)methyl]prop-2-enamide;hydrochloride
SMILESCOc1ccc(C/C(=C/F)C(N)=O)cc1.Cl
InChIInChI=1S/C11H12FNO2.ClH/c1-15-10-4-2-8(3-5-10)6-9(7-12)11(13)14;/h2-5,7H,6H2,1H3,(H2,13,14);1H/b9-7-;
InChIKeyYNHOBLMPCXVKCS-VILQZVERSA-N
MW245.68 g/mol
LogP2.00
Rot. Bonds4

About (Z)-3-fluoro-2-[(4-methoxyphenyl)methyl]prop-2-enamide;hydrochloride

(Z)-3-fluoro-2-[(4-methoxyphenyl)methyl]prop-2-enamide;hydrochloride (PubChem CID 175784695) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is (Z)-3-fluoro-2-[(4-methoxyphenyl)methyl]prop-2-enamide;hydrochloride.

Molecular Properties

Compound Name(Z)-3-fluoro-2-[(4-methoxyphenyl)methyl]prop-2-enamide;hydrochloride
PubChem CID175784695
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC Name(Z)-3-fluoro-2-[(4-methoxyphenyl)methyl]prop-2-enamide;hydrochloride
SMILESCOc1ccc(C/C(=C/F)C(N)=O)cc1.Cl
InChIInChI=1S/C11H12FNO2.ClH/c1-15-10-4-2-8(3-5-10)6-9(7-12)11(13)14;/h2-5,7H,6H2,1H3,(H2,13,14);1H/b9-7-;
InChIKeyYNHOBLMPCXVKCS-VILQZVERSA-N
XLogP2.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-2-[(4-methoxyphenyl)methyl]prop-2-enamide;hydrochloride?
The IUPAC name of (Z)-3-fluoro-2-[(4-methoxyphenyl)methyl]prop-2-enamide;hydrochloride (CID 175784695) is (Z)-3-fluoro-2-[(4-methoxyphenyl)methyl]prop-2-enamide;hydrochloride.
What is the SMILES notation for (Z)-3-fluoro-2-[(4-methoxyphenyl)methyl]prop-2-enamide;hydrochloride?
The canonical SMILES for (Z)-3-fluoro-2-[(4-methoxyphenyl)methyl]prop-2-enamide;hydrochloride is COc1ccc(C/C(=C/F)C(N)=O)cc1.Cl.
What is the InChIKey of (Z)-3-fluoro-2-[(4-methoxyphenyl)methyl]prop-2-enamide;hydrochloride?
The InChIKey is YNHOBLMPCXVKCS-VILQZVERSA-N. The full InChI is InChI=1S/C11H12FNO2.ClH/c1-15-10-4-2-8(3-5-10)6-9(7-12)11(13)14;/h2-5,7H,6H2,1H3,(H2,13,14);1H/b9-7-;.
What are the key properties of (Z)-3-fluoro-2-[(4-methoxyphenyl)methyl]prop-2-enamide;hydrochloride?
(Z)-3-fluoro-2-[(4-methoxyphenyl)methyl]prop-2-enamide;hydrochloride has a molecular weight of 245.68 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-2-[(4-methoxyphenyl)methyl]prop-2-enamide;hydrochloride is sourced from PubChem (CID 175784695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).