N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(difluoromethylsulfanyl)benzamide

C20H23ClF2N2OS — CID 18269959

IUPACN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(difluoromethylsulfanyl)benzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(SC(F)F)cc1)c1ccccc1Cl
InChIInChI=1S/C20H23ClF2N2OS/c1-3-25(4-2)18(16-7-5-6-8-17(16)21)13-24-19(26)14-9-11-15(12-10-14)27-20(22)23/h5-12,18,20H,3-4,13H2,1-2H3,(H,24,26)
InChIKeyOKJBVFHLYWGGBX-UHFFFAOYSA-N
MW412.93 g/mol
LogP5.47
Rot. Bonds9

About N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(difluoromethylsulfanyl)benzamide

N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(difluoromethylsulfanyl)benzamide (PubChem CID 18269959) has the molecular formula C20H23ClF2N2OS and a molecular weight of 412.93 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(difluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(difluoromethylsulfanyl)benzamide
PubChem CID18269959
Molecular FormulaC20H23ClF2N2OS
Molecular Weight412.93 g/mol
Exact Mass412.12
IUPAC NameN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(difluoromethylsulfanyl)benzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(SC(F)F)cc1)c1ccccc1Cl
InChIInChI=1S/C20H23ClF2N2OS/c1-3-25(4-2)18(16-7-5-6-8-17(16)21)13-24-19(26)14-9-11-15(12-10-14)27-20(22)23/h5-12,18,20H,3-4,13H2,1-2H3,(H,24,26)
InChIKeyOKJBVFHLYWGGBX-UHFFFAOYSA-N
XLogP5.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.93
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybenzamide
CID 42279457
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methylsulfinylbenzamide
CID 86930265
3-chloro-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]benzamide
CID 18280256
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dimethoxybenzamide
CID 18161543
4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 55521571
N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 34949059
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(1,3-oxazol-5-yl)benzamide
CID 55836198
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide
CID 34948840
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43019792
3-amino-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methylbutanamide;dihydrochloride
CID 120502499
N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2H-triazole-4-carboxamide
CID 51595080
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2,4,5-trimethylfuran-3-carboxamide
CID 46522526

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(difluoromethylsulfanyl)benzamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(difluoromethylsulfanyl)benzamide (CID 18269959) is N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(difluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(difluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(difluoromethylsulfanyl)benzamide is CCN(CC)C(CNC(=O)c1ccc(SC(F)F)cc1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(difluoromethylsulfanyl)benzamide?
The InChIKey is OKJBVFHLYWGGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClF2N2OS/c1-3-25(4-2)18(16-7-5-6-8-17(16)21)13-24-19(26)14-9-11-15(12-10-14)27-20(22)23/h5-12,18,20H,3-4,13H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(difluoromethylsulfanyl)benzamide?
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(difluoromethylsulfanyl)benzamide has a molecular weight of 412.93 g/mol, XLogP of 5.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(difluoromethylsulfanyl)benzamide is sourced from PubChem (CID 18269959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).