N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide

C20H24ClFN2O — CID 110278571

IUPACN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide
SMILESCN(C)CCC(NC(=O)CCc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClFN2O/c1-24(2)14-13-19(16-6-8-17(21)9-7-16)23-20(25)12-5-15-3-10-18(22)11-4-15/h3-4,6-11,19H,5,12-14H2,1-2H3,(H,23,25)
InChIKeyCSOUWKHEXZEWPQ-UHFFFAOYSA-N
MW362.88 g/mol
LogP4.22
Rot. Bonds8

About N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide (PubChem CID 110278571) has the molecular formula C20H24ClFN2O and a molecular weight of 362.88 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide
PubChem CID110278571
Molecular FormulaC20H24ClFN2O
Molecular Weight362.88 g/mol
Exact Mass362.16
IUPAC NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide
SMILESCN(C)CCC(NC(=O)CCc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClFN2O/c1-24(2)14-13-19(16-6-8-17(21)9-7-16)23-20(25)12-5-15-3-10-18(22)11-4-15/h3-4,6-11,19H,5,12-14H2,1-2H3,(H,23,25)
InChIKeyCSOUWKHEXZEWPQ-UHFFFAOYSA-N
XLogP4.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide
CID 110278648
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-(furan-2-yl)propanamide
CID 110281761
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(4-methoxyphenyl)acetamide
CID 15983443
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3,3-dimethylbutanamide
CID 110281888
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 110278509
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-cyclohexylpropanamide
CID 110278624
4-[3-(4-fluorophenyl)propanoylamino]-4-phenylbutanoic acid
CID 119201110
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethylbenzamide
CID 110281892
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-2-ethylbutanamide
CID 110281896
2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]propanamide
CID 110281695
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 75358387
N'-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 110278461

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide (CID 110278571) is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide is CN(C)CCC(NC(=O)CCc1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is CSOUWKHEXZEWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN2O/c1-24(2)14-13-19(16-6-8-17(21)9-7-16)23-20(25)12-5-15-3-10-18(22)11-4-15/h3-4,6-11,19H,5,12-14H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide?
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 362.88 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 110278571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).