(E)-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide

C16H14FNO2 — CID 22476623

IUPAC(E)-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C16H14FNO2/c17-14-3-1-2-13(10-14)11-20-15-7-4-12(5-8-15)6-9-16(18)19/h1-10H,11H2,(H2,18,19)/b9-6+
InChIKeyFUGOIOBTCPKQBP-RMKNXTFCSA-N
MW271.29 g/mol
LogP2.90
Rot. Bonds5

About (E)-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide

(E)-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide (PubChem CID 22476623) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is (E)-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide
PubChem CID22476623
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name(E)-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C16H14FNO2/c17-14-3-1-2-13(10-14)11-20-15-7-4-12(5-8-15)6-9-16(18)19/h1-10H,11H2,(H2,18,19)/b9-6+
InChIKeyFUGOIOBTCPKQBP-RMKNXTFCSA-N
XLogP2.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.90
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

3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enamide
CID 175884852
(E)-3-[3-[(3-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 29018393
(E)-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 6277779
2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate
CID 11687874
5-[4-[(3-fluorophenyl)methoxy]phenyl]pent-4-en-2-amine
CID 57145586
(E)-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 6065791
ethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate
CID 131847797
(E)-3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]prop-2-enamide
CID 170878016
[2-(3-fluoroanilino)-2-oxoethyl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 18207237
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(3-fluorophenyl)ethyl]prop-2-enamide
CID 134031178
(Z)-3-[4-(3-fluorophenyl)phenyl]prop-2-enamide
CID 170876937
3-[4-[(3-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanamide
CID 171869350

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide (CID 22476623) is (E)-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide is NC(=O)/C=C/c1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of (E)-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide?
The InChIKey is FUGOIOBTCPKQBP-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H14FNO2/c17-14-3-1-2-13(10-14)11-20-15-7-4-12(5-8-15)6-9-16(18)19/h1-10H,11H2,(H2,18,19)/b9-6+.
What are the key properties of (E)-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide?
(E)-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide has a molecular weight of 271.29 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enamide is sourced from PubChem (CID 22476623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).