[5-chloro-2-[2-[(dimethylamino)methyl]phenyl]phenyl]-(2-fluorophenyl)methanone

C22H19ClFNO — CID 12787269

IUPAC[5-chloro-2-[2-[(dimethylamino)methyl]phenyl]phenyl]-(2-fluorophenyl)methanone
SMILESCN(C)Cc1ccccc1-c1ccc(Cl)cc1C(=O)c1ccccc1F
InChIInChI=1S/C22H19ClFNO/c1-25(2)14-15-7-3-4-8-17(15)18-12-11-16(23)13-20(18)22(26)19-9-5-6-10-21(19)24/h3-13H,14H2,1-2H3
InChIKeyAYHVRRWXKLTYPT-UHFFFAOYSA-N
MW367.85 g/mol
LogP5.44
Rot. Bonds5

About [5-chloro-2-[2-[(dimethylamino)methyl]phenyl]phenyl]-(2-fluorophenyl)methanone

[5-chloro-2-[2-[(dimethylamino)methyl]phenyl]phenyl]-(2-fluorophenyl)methanone (PubChem CID 12787269) has the molecular formula C22H19ClFNO and a molecular weight of 367.85 g/mol. Its IUPAC name is [5-chloro-2-[2-[(dimethylamino)methyl]phenyl]phenyl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[5-chloro-2-[2-[(dimethylamino)methyl]phenyl]phenyl]-(2-fluorophenyl)methanone
PubChem CID12787269
Molecular FormulaC22H19ClFNO
Molecular Weight367.85 g/mol
Exact Mass367.11
IUPAC Name[5-chloro-2-[2-[(dimethylamino)methyl]phenyl]phenyl]-(2-fluorophenyl)methanone
SMILESCN(C)Cc1ccccc1-c1ccc(Cl)cc1C(=O)c1ccccc1F
InChIInChI=1S/C22H19ClFNO/c1-25(2)14-15-7-3-4-8-17(15)18-12-11-16(23)13-20(18)22(26)19-9-5-6-10-21(19)24/h3-13H,14H2,1-2H3
InChIKeyAYHVRRWXKLTYPT-UHFFFAOYSA-N
XLogP5.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.85
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[2-[(dimethylamino)methyl]phenyl]phenyl]-(2-fluorophenyl)methanone?
The IUPAC name of [5-chloro-2-[2-[(dimethylamino)methyl]phenyl]phenyl]-(2-fluorophenyl)methanone (CID 12787269) is [5-chloro-2-[2-[(dimethylamino)methyl]phenyl]phenyl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [5-chloro-2-[2-[(dimethylamino)methyl]phenyl]phenyl]-(2-fluorophenyl)methanone?
The canonical SMILES for [5-chloro-2-[2-[(dimethylamino)methyl]phenyl]phenyl]-(2-fluorophenyl)methanone is CN(C)Cc1ccccc1-c1ccc(Cl)cc1C(=O)c1ccccc1F.
What is the InChIKey of [5-chloro-2-[2-[(dimethylamino)methyl]phenyl]phenyl]-(2-fluorophenyl)methanone?
The InChIKey is AYHVRRWXKLTYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFNO/c1-25(2)14-15-7-3-4-8-17(15)18-12-11-16(23)13-20(18)22(26)19-9-5-6-10-21(19)24/h3-13H,14H2,1-2H3.
What are the key properties of [5-chloro-2-[2-[(dimethylamino)methyl]phenyl]phenyl]-(2-fluorophenyl)methanone?
[5-chloro-2-[2-[(dimethylamino)methyl]phenyl]phenyl]-(2-fluorophenyl)methanone has a molecular weight of 367.85 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[2-[(dimethylamino)methyl]phenyl]phenyl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 12787269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).