(E)-3-[4-(3-fluoropropoxy)phenyl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide

C20H22FNO3 — CID 6270538

IUPAC(E)-3-[4-(3-fluoropropoxy)phenyl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide
SMILESCOc1ccc(CNC(=O)/C=C/c2ccc(OCCCF)cc2)cc1
InChIInChI=1S/C20H22FNO3/c1-24-18-8-5-17(6-9-18)15-22-20(23)12-7-16-3-10-19(11-4-16)25-14-2-13-21/h3-12H,2,13-15H2,1H3,(H,22,23)/b12-7+
InChIKeyAHCCKOBSUFKSNE-KPKJPENVSA-N
MW343.40 g/mol
LogP3.76
Rot. Bonds9

About (E)-3-[4-(3-fluoropropoxy)phenyl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide

(E)-3-[4-(3-fluoropropoxy)phenyl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide (PubChem CID 6270538) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is (E)-3-[4-(3-fluoropropoxy)phenyl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(3-fluoropropoxy)phenyl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide
PubChem CID6270538
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name(E)-3-[4-(3-fluoropropoxy)phenyl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide
SMILESCOc1ccc(CNC(=O)/C=C/c2ccc(OCCCF)cc2)cc1
InChIInChI=1S/C20H22FNO3/c1-24-18-8-5-17(6-9-18)15-22-20(23)12-7-16-3-10-19(11-4-16)25-14-2-13-21/h3-12H,2,13-15H2,1H3,(H,22,23)/b12-7+
InChIKeyAHCCKOBSUFKSNE-KPKJPENVSA-N
XLogP3.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(3-fluoropropoxy)phenyl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(3-fluoropropoxy)phenyl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide (CID 6270538) is (E)-3-[4-(3-fluoropropoxy)phenyl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(3-fluoropropoxy)phenyl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(3-fluoropropoxy)phenyl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide is COc1ccc(CNC(=O)/C=C/c2ccc(OCCCF)cc2)cc1.
What is the InChIKey of (E)-3-[4-(3-fluoropropoxy)phenyl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide?
The InChIKey is AHCCKOBSUFKSNE-KPKJPENVSA-N. The full InChI is InChI=1S/C20H22FNO3/c1-24-18-8-5-17(6-9-18)15-22-20(23)12-7-16-3-10-19(11-4-16)25-14-2-13-21/h3-12H,2,13-15H2,1H3,(H,22,23)/b12-7+.
What are the key properties of (E)-3-[4-(3-fluoropropoxy)phenyl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide?
(E)-3-[4-(3-fluoropropoxy)phenyl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide has a molecular weight of 343.40 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(3-fluoropropoxy)phenyl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 6270538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).