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

C17H16FNO2 — CID 2478274

IUPAC(E)-3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
SMILESCOc1ccc(CNC(=O)/C=C/c2cccc(F)c2)cc1
InChIInChI=1S/C17H16FNO2/c1-21-16-8-5-14(6-9-16)12-19-17(20)10-7-13-3-2-4-15(18)11-13/h2-11H,12H2,1H3,(H,19,20)/b10-7+
InChIKeyAJYQEGDKFKNFMG-JXMROGBWSA-N
MW285.32 g/mol
LogP3.16
Rot. Bonds5

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

(E)-3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide (PubChem CID 2478274) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
PubChem CID2478274
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name(E)-3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
SMILESCOc1ccc(CNC(=O)/C=C/c2cccc(F)c2)cc1
InChIInChI=1S/C17H16FNO2/c1-21-16-8-5-14(6-9-16)12-19-17(20)10-7-13-3-2-4-15(18)11-13/h2-11H,12H2,1H3,(H,19,20)/b10-7+
InChIKeyAJYQEGDKFKNFMG-JXMROGBWSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.16
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

(E)-3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 7772448
(E)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluorophenyl)prop-2-enamide
CID 9033840
methyl 5-[[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]methyl]-2-methoxybenzoate
CID 51156548
3-(4-methoxyphenyl)-N-[[3-[[3-(4-methoxyphenyl)prop-2-enoylamino]methyl]phenyl]methyl]prop-2-enamide
CID 1011377
4-[[3-(3-methoxyphenyl)prop-2-enoylamino]methyl]benzoic acid
CID 67079345
N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 4103426
(E)-N-[(4-bromophenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 61400451
3-[[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]methyl]benzoic acid
CID 84761715
3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 898590
(E)-3-(3-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide
CID 86941753
(E)-3-(3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]prop-2-enamide
CID 86820691
N-[(4-methoxyphenyl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 897847

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide (CID 2478274) is (E)-3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide is COc1ccc(CNC(=O)/C=C/c2cccc(F)c2)cc1.
What is the InChIKey of (E)-3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide?
The InChIKey is AJYQEGDKFKNFMG-JXMROGBWSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-21-16-8-5-14(6-9-16)12-19-17(20)10-7-13-3-2-4-15(18)11-13/h2-11H,12H2,1H3,(H,19,20)/b10-7+.
What are the key properties of (E)-3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide?
(E)-3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide has a molecular weight of 285.32 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 2478274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).