(4-fluorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone

C24H22FNO — CID 54007184

IUPAC(4-fluorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone
SMILESC=CCN(C)Cc1ccc(-c2ccc(C(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C24H22FNO/c1-3-16-26(2)17-18-4-6-19(7-5-18)20-8-10-21(11-9-20)24(27)22-12-14-23(25)15-13-22/h3-15H,1,16-17H2,2H3
InChIKeyKPSKFNMNQFRGJT-UHFFFAOYSA-N
MW359.44 g/mol
LogP5.34
Rot. Bonds7

About (4-fluorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone

(4-fluorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone (PubChem CID 54007184) has the molecular formula C24H22FNO and a molecular weight of 359.44 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone
PubChem CID54007184
Molecular FormulaC24H22FNO
Molecular Weight359.44 g/mol
Exact Mass359.17
IUPAC Name(4-fluorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone
SMILESC=CCN(C)Cc1ccc(-c2ccc(C(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C24H22FNO/c1-3-16-26(2)17-18-4-6-19(7-5-18)20-8-10-21(11-9-20)24(27)22-12-14-23(25)15-13-22/h3-15H,1,16-17H2,2H3
InChIKeyKPSKFNMNQFRGJT-UHFFFAOYSA-N
XLogP5.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.44
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]-phenylmethanone
CID 67785165
(4-bromophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone;hydrochloride
CID 44570860
(2,4-dichlorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone;hydrochloride
CID 67784535
1-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]hexan-1-one;hydrochloride
CID 67853322
N-methyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-amine
CID 57106093
1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 60649629
4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide
CID 47129744
2-[[(4-fluorophenyl)methyl-methylcarbamoyl]-prop-2-enylamino]acetic acid
CID 79276361
3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 62612670
[4-[(dimethylamino)methyl]phenyl]-phenylmethanone;prop-2-enoic acid;hydrochloride
CID 175497028
4-[4-(4-fluorobenzoyl)phenyl]benzaldehyde
CID 175444205
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-benzoylbenzoate
CID 7203975

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone (CID 54007184) is (4-fluorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone is C=CCN(C)Cc1ccc(-c2ccc(C(=O)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of (4-fluorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone?
The InChIKey is KPSKFNMNQFRGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO/c1-3-16-26(2)17-18-4-6-19(7-5-18)20-8-10-21(11-9-20)24(27)22-12-14-23(25)15-13-22/h3-15H,1,16-17H2,2H3.
What are the key properties of (4-fluorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone?
(4-fluorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone has a molecular weight of 359.44 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone is sourced from PubChem (CID 54007184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).