(E)-3-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide

C19H20FNO2 — CID 86941786

IUPAC(E)-3-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide
SMILESCOc1cccc(CC(C)NC(=O)/C=C/c2ccc(F)cc2)c1
InChIInChI=1S/C19H20FNO2/c1-14(12-16-4-3-5-18(13-16)23-2)21-19(22)11-8-15-6-9-17(20)10-7-15/h3-11,13-14H,12H2,1-2H3,(H,21,22)/b11-8+
InChIKeyIFMIVWSSPUADHX-DHZHZOJOSA-N
MW313.37 g/mol
LogP3.59
Rot. Bonds6

About (E)-3-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide

(E)-3-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide (PubChem CID 86941786) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide
PubChem CID86941786
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name(E)-3-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide
SMILESCOc1cccc(CC(C)NC(=O)/C=C/c2ccc(F)cc2)c1
InChIInChI=1S/C19H20FNO2/c1-14(12-16-4-3-5-18(13-16)23-2)21-19(22)11-8-15-6-9-17(20)10-7-15/h3-11,13-14H,12H2,1-2H3,(H,21,22)/b11-8+
InChIKeyIFMIVWSSPUADHX-DHZHZOJOSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.59
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-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide
CID 86941753
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide
CID 86942712
(E)-3-(4-methoxyphenyl)-N-[(2R)-1-phenylpropan-2-yl]prop-2-enamide
CID 757128
(E)-N-[1-(3-methoxyphenyl)propan-2-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 86941732
(E)-3-(4-fluorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]prop-2-enamide
CID 99996359
4-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 86941749
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
(E)-3-(4-fluorophenyl)-N-[3-[2-(3-methoxyphenyl)ethyl-propan-2-ylamino]propyl]prop-2-enamide
CID 15023562
1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943844
(E)-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]prop-2-enamide
CID 6445083
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943269
(E)-3-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide
CID 7921016

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide (CID 86941786) is (E)-3-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide is COc1cccc(CC(C)NC(=O)/C=C/c2ccc(F)cc2)c1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide?
The InChIKey is IFMIVWSSPUADHX-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-14(12-16-4-3-5-18(13-16)23-2)21-19(22)11-8-15-6-9-17(20)10-7-15/h3-11,13-14H,12H2,1-2H3,(H,21,22)/b11-8+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide has a molecular weight of 313.37 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide is sourced from PubChem (CID 86941786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).