(E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide

C18H18FNO — CID 9410111

IUPAC(E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(/C=C/C(=O)N[C@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C18H18FNO/c1-13-4-3-5-15(12-13)6-11-18(21)20-14(2)16-7-9-17(19)10-8-16/h3-12,14H,1-2H3,(H,20,21)/b11-6+/t14-/m1/s1
InChIKeyLWLKGBMXHHPSKZ-JBNJFFQFSA-N
MW283.35 g/mol
LogP4.02
Rot. Bonds4

About (E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide

(E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide (PubChem CID 9410111) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is (E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide
PubChem CID9410111
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name(E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(/C=C/C(=O)N[C@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C18H18FNO/c1-13-4-3-5-15(12-13)6-11-18(21)20-14(2)16-7-9-17(19)10-8-16/h3-12,14H,1-2H3,(H,20,21)/b11-6+/t14-/m1/s1
InChIKeyLWLKGBMXHHPSKZ-JBNJFFQFSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[1-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 43907234
(E)-3-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 9330259
(E)-3-(3-aminophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]prop-2-enamide
CID 115344734
(E)-3-(3-methylphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 48664048
(E)-3-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide
CID 42990101
3-(3-fluorophenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 91321307
(E)-3-(3-methylphenyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]prop-2-enamide
CID 51197710
(E)-N-[1-[3-(dimethylamino)-4-methoxyphenyl]ethyl]-3-(3-methylphenyl)prop-2-enamide
CID 142190221
(2R)-2-[3-(3-methylphenyl)prop-2-enoylamino]propanoic acid
CID 78972886
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
(E)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)prop-2-enamide
CID 8782179
(E)-3-(3-aminophenyl)-N-(1-phenylethyl)prop-2-enamide
CID 79023784

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide (CID 9410111) is (E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide is Cc1cccc(/C=C/C(=O)N[C@H](C)c2ccc(F)cc2)c1.
What is the InChIKey of (E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide?
The InChIKey is LWLKGBMXHHPSKZ-JBNJFFQFSA-N. The full InChI is InChI=1S/C18H18FNO/c1-13-4-3-5-15(12-13)6-11-18(21)20-14(2)16-7-9-17(19)10-8-16/h3-12,14H,1-2H3,(H,20,21)/b11-6+/t14-/m1/s1.
What are the key properties of (E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide?
(E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide has a molecular weight of 283.35 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 9410111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).