(E)-N-cyclopropyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide

C14H16FNO2 — CID 43577305

IUPAC(E)-N-cyclopropyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)N(CCO)C1CC1
InChIInChI=1S/C14H16FNO2/c15-12-3-1-2-11(10-12)4-7-14(18)16(8-9-17)13-5-6-13/h1-4,7,10,13,17H,5-6,8-9H2/b7-4+
InChIKeyPIZSJUDJTOLVQH-QPJJXVBHSA-N
MW249.29 g/mol
LogP1.82
Rot. Bonds5

About (E)-N-cyclopropyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide

(E)-N-cyclopropyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide (PubChem CID 43577305) has the molecular formula C14H16FNO2 and a molecular weight of 249.29 g/mol. Its IUPAC name is (E)-N-cyclopropyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
PubChem CID43577305
Molecular FormulaC14H16FNO2
Molecular Weight249.29 g/mol
Exact Mass249.12
IUPAC Name(E)-N-cyclopropyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)N(CCO)C1CC1
InChIInChI=1S/C14H16FNO2/c15-12-3-1-2-11(10-12)4-7-14(18)16(8-9-17)13-5-6-13/h1-4,7,10,13,17H,5-6,8-9H2/b7-4+
InChIKeyPIZSJUDJTOLVQH-QPJJXVBHSA-N
XLogP1.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.82
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-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide
CID 43577307
(E)-N-cyclobutyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 102684272
(E)-3-(3-cyanophenyl)-N-cyclobutyl-N-(2-hydroxyethyl)prop-2-enamide
CID 102684445
(E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)prop-2-enamide
CID 43577156
(Z)-3-(3-fluorophenyl)-N-methoxy-N-methylprop-2-enamide
CID 97305733
(E)-N,N-bis(2-cyanoethyl)-3-(3-fluorophenyl)prop-2-enamide
CID 47148587
3-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]-methylamino]propanoic acid
CID 60989553
(E)-3-(3-aminophenyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 115343806
(E)-N-cyclopropyl-3-(3-fluorophenyl)-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide
CID 42275729
(E)-3-(3-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylprop-2-enamide
CID 115759765
(E)-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide
CID 60587560
N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide
CID 76870677

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide (CID 43577305) is (E)-N-cyclopropyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide is O=C(/C=C/c1cccc(F)c1)N(CCO)C1CC1.
What is the InChIKey of (E)-N-cyclopropyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide?
The InChIKey is PIZSJUDJTOLVQH-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H16FNO2/c15-12-3-1-2-11(10-12)4-7-14(18)16(8-9-17)13-5-6-13/h1-4,7,10,13,17H,5-6,8-9H2/b7-4+.
What are the key properties of (E)-N-cyclopropyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide?
(E)-N-cyclopropyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide has a molecular weight of 249.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide is sourced from PubChem (CID 43577305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).