N-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(3-fluorophenyl)-1-methylpiperidin-4-yl]propanamide

C23H27Cl2FN2O — CID 90865843

IUPACN-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(3-fluorophenyl)-1-methylpiperidin-4-yl]propanamide
SMILESCC(NC(=O)C(C)C1(c2cccc(F)c2)CCN(C)CC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C23H27Cl2FN2O/c1-15(22(29)27-16(2)17-11-19(24)14-20(25)12-17)23(7-9-28(3)10-8-23)18-5-4-6-21(26)13-18/h4-6,11-16H,7-10H2,1-3H3,(H,27,29)
InChIKeyYUFDHJXLHHMHDX-UHFFFAOYSA-N
MW437.39 g/mol
LogP5.61
Rot. Bonds5

About N-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(3-fluorophenyl)-1-methylpiperidin-4-yl]propanamide

N-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(3-fluorophenyl)-1-methylpiperidin-4-yl]propanamide (PubChem CID 90865843) has the molecular formula C23H27Cl2FN2O and a molecular weight of 437.39 g/mol. Its IUPAC name is N-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(3-fluorophenyl)-1-methylpiperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(3-fluorophenyl)-1-methylpiperidin-4-yl]propanamide
PubChem CID90865843
Molecular FormulaC23H27Cl2FN2O
Molecular Weight437.39 g/mol
Exact Mass436.15
IUPAC NameN-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(3-fluorophenyl)-1-methylpiperidin-4-yl]propanamide
SMILESCC(NC(=O)C(C)C1(c2cccc(F)c2)CCN(C)CC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C23H27Cl2FN2O/c1-15(22(29)27-16(2)17-11-19(24)14-20(25)12-17)23(7-9-28(3)10-8-23)18-5-4-6-21(26)13-18/h4-6,11-16H,7-10H2,1-3H3,(H,27,29)
InChIKeyYUFDHJXLHHMHDX-UHFFFAOYSA-N
XLogP5.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.39
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1,3-benzodioxol-5-yl)-1-methylpiperidin-4-yl]-N-[1-(3,5-dichlorophenyl)ethyl]propanamide
CID 91552841
N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]propanamide
CID 87688968
N-[1-(3-chloronaphthalen-1-yl)ethyl]-2-(1-methyl-4-phenylpiperidin-4-yl)propanamide
CID 91264112
N-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]propanamide
CID 91011117
2-[1-(3-fluorophenyl)cyclopentyl]propanoic acid
CID 68973973
2-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365342
4-(3-fluoroanilino)-1-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 155878797
N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 46541078
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81364899
(2R)-2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81364932
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365596
[1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 112759609

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(3-fluorophenyl)-1-methylpiperidin-4-yl]propanamide?
The IUPAC name of N-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(3-fluorophenyl)-1-methylpiperidin-4-yl]propanamide (CID 90865843) is N-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(3-fluorophenyl)-1-methylpiperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(3-fluorophenyl)-1-methylpiperidin-4-yl]propanamide?
The canonical SMILES for N-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(3-fluorophenyl)-1-methylpiperidin-4-yl]propanamide is CC(NC(=O)C(C)C1(c2cccc(F)c2)CCN(C)CC1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(3-fluorophenyl)-1-methylpiperidin-4-yl]propanamide?
The InChIKey is YUFDHJXLHHMHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2FN2O/c1-15(22(29)27-16(2)17-11-19(24)14-20(25)12-17)23(7-9-28(3)10-8-23)18-5-4-6-21(26)13-18/h4-6,11-16H,7-10H2,1-3H3,(H,27,29).
What are the key properties of N-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(3-fluorophenyl)-1-methylpiperidin-4-yl]propanamide?
N-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(3-fluorophenyl)-1-methylpiperidin-4-yl]propanamide has a molecular weight of 437.39 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(3-fluorophenyl)-1-methylpiperidin-4-yl]propanamide is sourced from PubChem (CID 90865843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).