3-(3-chlorophenyl)-1-[4-[3-(dimethylamino)propyl]phenyl]propan-1-one

C20H24ClNO — CID 19883660

IUPAC3-(3-chlorophenyl)-1-[4-[3-(dimethylamino)propyl]phenyl]propan-1-one
SMILESCN(C)CCCc1ccc(C(=O)CCc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H24ClNO/c1-22(2)14-4-6-16-8-11-18(12-9-16)20(23)13-10-17-5-3-7-19(21)15-17/h3,5,7-9,11-12,15H,4,6,10,13-14H2,1-2H3
InChIKeyCYDLCEJDVNKOBX-UHFFFAOYSA-N
MW329.87 g/mol
LogP4.65
Rot. Bonds8

About 3-(3-chlorophenyl)-1-[4-[3-(dimethylamino)propyl]phenyl]propan-1-one

3-(3-chlorophenyl)-1-[4-[3-(dimethylamino)propyl]phenyl]propan-1-one (PubChem CID 19883660) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[4-[3-(dimethylamino)propyl]phenyl]propan-1-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[4-[3-(dimethylamino)propyl]phenyl]propan-1-one
PubChem CID19883660
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name3-(3-chlorophenyl)-1-[4-[3-(dimethylamino)propyl]phenyl]propan-1-one
SMILESCN(C)CCCc1ccc(C(=O)CCc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H24ClNO/c1-22(2)14-4-6-16-8-11-18(12-9-16)20(23)13-10-17-5-3-7-19(21)15-17/h3,5,7-9,11-12,15H,4,6,10,13-14H2,1-2H3
InChIKeyCYDLCEJDVNKOBX-UHFFFAOYSA-N
XLogP4.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-1-(4-chlorophenyl)propan-1-one
CID 24726034
3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)propan-1-one
CID 24726042
3-(3-chlorophenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726035
1-(3-chlorophenyl)-3-(3-methylphenyl)propan-1-one
CID 24725678
3-(dimethylamino)-1-(4-pentylphenyl)propan-1-one
CID 3951967
4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one
CID 15284079
1-N'-[2-(3-chlorophenyl)ethyl]-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide
CID 108973789
1-(3-chlorophenyl)-3-(4-fluorophenyl)propan-1-one
CID 24726182
3-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)propanamide
CID 86913073
3-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866352
6-(3-chlorophenyl)hexan-3-one
CID 64520537
1-[4-[2-(3-chlorophenyl)ethoxy]phenyl]hexan-1-one
CID 90996383

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[4-[3-(dimethylamino)propyl]phenyl]propan-1-one?
The IUPAC name of 3-(3-chlorophenyl)-1-[4-[3-(dimethylamino)propyl]phenyl]propan-1-one (CID 19883660) is 3-(3-chlorophenyl)-1-[4-[3-(dimethylamino)propyl]phenyl]propan-1-one.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[4-[3-(dimethylamino)propyl]phenyl]propan-1-one?
The canonical SMILES for 3-(3-chlorophenyl)-1-[4-[3-(dimethylamino)propyl]phenyl]propan-1-one is CN(C)CCCc1ccc(C(=O)CCc2cccc(Cl)c2)cc1.
What is the InChIKey of 3-(3-chlorophenyl)-1-[4-[3-(dimethylamino)propyl]phenyl]propan-1-one?
The InChIKey is CYDLCEJDVNKOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO/c1-22(2)14-4-6-16-8-11-18(12-9-16)20(23)13-10-17-5-3-7-19(21)15-17/h3,5,7-9,11-12,15H,4,6,10,13-14H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-1-[4-[3-(dimethylamino)propyl]phenyl]propan-1-one?
3-(3-chlorophenyl)-1-[4-[3-(dimethylamino)propyl]phenyl]propan-1-one has a molecular weight of 329.87 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-[4-[3-(dimethylamino)propyl]phenyl]propan-1-one is sourced from PubChem (CID 19883660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).