[4-[7-(dimethylamino)heptyl]phenyl]-(4-fluorophenyl)methanone

C22H28FNO — CID 19883676

IUPAC[4-[7-(dimethylamino)heptyl]phenyl]-(4-fluorophenyl)methanone
SMILESCN(C)CCCCCCCc1ccc(C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H28FNO/c1-24(2)17-7-5-3-4-6-8-18-9-11-19(12-10-18)22(25)20-13-15-21(23)16-14-20/h9-16H,3-8,17H2,1-2H3
InChIKeyCVMVZHUGXKADGK-UHFFFAOYSA-N
MW341.47 g/mol
LogP5.11
Rot. Bonds10

About [4-[7-(dimethylamino)heptyl]phenyl]-(4-fluorophenyl)methanone

[4-[7-(dimethylamino)heptyl]phenyl]-(4-fluorophenyl)methanone (PubChem CID 19883676) has the molecular formula C22H28FNO and a molecular weight of 341.47 g/mol. Its IUPAC name is [4-[7-(dimethylamino)heptyl]phenyl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[7-(dimethylamino)heptyl]phenyl]-(4-fluorophenyl)methanone
PubChem CID19883676
Molecular FormulaC22H28FNO
Molecular Weight341.47 g/mol
Exact Mass341.22
IUPAC Name[4-[7-(dimethylamino)heptyl]phenyl]-(4-fluorophenyl)methanone
SMILESCN(C)CCCCCCCc1ccc(C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H28FNO/c1-24(2)17-7-5-3-4-6-8-18-9-11-19(12-10-18)22(25)20-13-15-21(23)16-14-20/h9-16H,3-8,17H2,1-2H3
InChIKeyCVMVZHUGXKADGK-UHFFFAOYSA-N
XLogP5.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.47
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-but-2-enedioic acid;[4-[6-(dimethylamino)hexyl]phenyl]-phenylmethanone
CID 19883668
methyl 4-[4-(4-fluorobenzoyl)phenyl]butanoate
CID 10756621
[4-[2-(dimethylamino)ethyl]phenyl]-phenylmethanone
CID 44720417
N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide
CID 94913793
N,N-dimethyl-5-(4-methylphenyl)pentan-1-amine;hydrate
CID 173447958
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
6-(4-fluorophenyl)hexanoic acid
CID 14739735
11-(4-fluorophenyl)undecanamide
CID 144640590
methyl 4-[3-(4-fluorophenyl)propyl]benzoate
CID 58531347
N-[3-(dimethylamino)propyl]-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 108995212
1-[7-(dimethylamino)heptyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine
CID 111229089
3-(dimethylamino)-1-(4-pentylphenyl)propan-1-one
CID 3951967

Frequently Asked Questions

What is the IUPAC name of [4-[7-(dimethylamino)heptyl]phenyl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-[7-(dimethylamino)heptyl]phenyl]-(4-fluorophenyl)methanone (CID 19883676) is [4-[7-(dimethylamino)heptyl]phenyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-[7-(dimethylamino)heptyl]phenyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-[7-(dimethylamino)heptyl]phenyl]-(4-fluorophenyl)methanone is CN(C)CCCCCCCc1ccc(C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of [4-[7-(dimethylamino)heptyl]phenyl]-(4-fluorophenyl)methanone?
The InChIKey is CVMVZHUGXKADGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNO/c1-24(2)17-7-5-3-4-6-8-18-9-11-19(12-10-18)22(25)20-13-15-21(23)16-14-20/h9-16H,3-8,17H2,1-2H3.
What are the key properties of [4-[7-(dimethylamino)heptyl]phenyl]-(4-fluorophenyl)methanone?
[4-[7-(dimethylamino)heptyl]phenyl]-(4-fluorophenyl)methanone has a molecular weight of 341.47 g/mol, XLogP of 5.11, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-(dimethylamino)heptyl]phenyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 19883676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).