(E)-N-(1-adamantyl)-3-(3-fluorophenyl)prop-2-enamide

C19H22FNO — CID 7732530

IUPAC(E)-N-(1-adamantyl)-3-(3-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H22FNO/c20-17-3-1-2-13(9-17)4-5-18(22)21-19-10-14-6-15(11-19)8-16(7-14)12-19/h1-5,9,14-16H,6-8,10-12H2,(H,21,22)/b5-4+
InChIKeyORYGKMGGBONRJH-SNAWJCMRSA-N
MW299.39 g/mol
LogP3.92
Rot. Bonds3

About (E)-N-(1-adamantyl)-3-(3-fluorophenyl)prop-2-enamide

(E)-N-(1-adamantyl)-3-(3-fluorophenyl)prop-2-enamide (PubChem CID 7732530) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is (E)-N-(1-adamantyl)-3-(3-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-adamantyl)-3-(3-fluorophenyl)prop-2-enamide
PubChem CID7732530
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name(E)-N-(1-adamantyl)-3-(3-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H22FNO/c20-17-3-1-2-13(9-17)4-5-18(22)21-19-10-14-6-15(11-19)8-16(7-14)12-19/h1-5,9,14-16H,6-8,10-12H2,(H,21,22)/b5-4+
InChIKeyORYGKMGGBONRJH-SNAWJCMRSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.92
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'-[2-(1-adamantyl)acetyl]-3-(3-fluorophenyl)prop-2-enehydrazide
CID 7917923
1-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84562022
N-(1-adamantyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 3608484
1-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 43091960
(E)-N-(1-adamantyl)-3-(3-bromo-4,5-dihydroxyphenyl)prop-2-enamide
CID 118712241
[2-(1-adamantyl)-2-oxoethyl] (Z)-3-(3-fluorophenyl)prop-2-enoate
CID 92964577
N-(1-adamantyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 78573727
3-(3-fluorophenyl)-N-[(3-hydroxycyclobutyl)methyl]prop-2-enamide
CID 77111150
(E)-3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide
CID 43389280
3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide
CID 74880395
(E)-N-(1-adamantyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 26910618
(E)-N-(1-adamantyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 31242188

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-adamantyl)-3-(3-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(1-adamantyl)-3-(3-fluorophenyl)prop-2-enamide (CID 7732530) is (E)-N-(1-adamantyl)-3-(3-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1-adamantyl)-3-(3-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(1-adamantyl)-3-(3-fluorophenyl)prop-2-enamide is O=C(/C=C/c1cccc(F)c1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (E)-N-(1-adamantyl)-3-(3-fluorophenyl)prop-2-enamide?
The InChIKey is ORYGKMGGBONRJH-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H22FNO/c20-17-3-1-2-13(9-17)4-5-18(22)21-19-10-14-6-15(11-19)8-16(7-14)12-19/h1-5,9,14-16H,6-8,10-12H2,(H,21,22)/b5-4+.
What are the key properties of (E)-N-(1-adamantyl)-3-(3-fluorophenyl)prop-2-enamide?
(E)-N-(1-adamantyl)-3-(3-fluorophenyl)prop-2-enamide has a molecular weight of 299.39 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-adamantyl)-3-(3-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 7732530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).