N-[2-(diethylamino)-2-phenylethyl]-4-(difluoromethoxy)-3-ethoxybenzamide

C22H28F2N2O3 — CID 24649811

IUPACN-[2-(diethylamino)-2-phenylethyl]-4-(difluoromethoxy)-3-ethoxybenzamide
SMILESCCOc1cc(C(=O)NCC(c2ccccc2)N(CC)CC)ccc1OC(F)F
InChIInChI=1S/C22H28F2N2O3/c1-4-26(5-2)18(16-10-8-7-9-11-16)15-25-21(27)17-12-13-19(29-22(23)24)20(14-17)28-6-3/h7-14,18,22H,4-6,15H2,1-3H3,(H,25,27)
InChIKeyUYKLFNAAYFUAFD-UHFFFAOYSA-N
MW406.47 g/mol
LogP4.50
Rot. Bonds11

About N-[2-(diethylamino)-2-phenylethyl]-4-(difluoromethoxy)-3-ethoxybenzamide

N-[2-(diethylamino)-2-phenylethyl]-4-(difluoromethoxy)-3-ethoxybenzamide (PubChem CID 24649811) has the molecular formula C22H28F2N2O3 and a molecular weight of 406.47 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-4-(difluoromethoxy)-3-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-4-(difluoromethoxy)-3-ethoxybenzamide
PubChem CID24649811
Molecular FormulaC22H28F2N2O3
Molecular Weight406.47 g/mol
Exact Mass406.21
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-4-(difluoromethoxy)-3-ethoxybenzamide
SMILESCCOc1cc(C(=O)NCC(c2ccccc2)N(CC)CC)ccc1OC(F)F
InChIInChI=1S/C22H28F2N2O3/c1-4-26(5-2)18(16-10-8-7-9-11-16)15-25-21(27)17-12-13-19(29-22(23)24)20(14-17)28-6-3/h7-14,18,22H,4-6,15H2,1-3H3,(H,25,27)
InChIKeyUYKLFNAAYFUAFD-UHFFFAOYSA-N
XLogP4.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)-2-phenylethyl]-3-(difluoromethoxy)benzamide
CID 18167097
4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide
CID 42906041
N-[2-(dimethylamino)-2-phenylethyl]-4-ethoxy-3-methoxybenzamide
CID 51166343
4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide
CID 3461612
N-[2-(diethylamino)-2-phenylethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 55527031
N-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide
CID 16549388
3-ethoxy-4-methoxy-N-(3-methyl-2-phenylbutyl)benzamide
CID 46433040
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3,4-diethoxybenzamide
CID 7495926
N'-[4-(diethylamino)benzoyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide
CID 9156060
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 51283235
N-[2-(diethylamino)-2-phenylethyl]-3-(methoxymethyl)benzamide
CID 46446887
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-4-(difluoromethoxy)-3-ethoxybenzamide?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-4-(difluoromethoxy)-3-ethoxybenzamide (CID 24649811) is N-[2-(diethylamino)-2-phenylethyl]-4-(difluoromethoxy)-3-ethoxybenzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-4-(difluoromethoxy)-3-ethoxybenzamide?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-4-(difluoromethoxy)-3-ethoxybenzamide is CCOc1cc(C(=O)NCC(c2ccccc2)N(CC)CC)ccc1OC(F)F.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-4-(difluoromethoxy)-3-ethoxybenzamide?
The InChIKey is UYKLFNAAYFUAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N2O3/c1-4-26(5-2)18(16-10-8-7-9-11-16)15-25-21(27)17-12-13-19(29-22(23)24)20(14-17)28-6-3/h7-14,18,22H,4-6,15H2,1-3H3,(H,25,27).
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-4-(difluoromethoxy)-3-ethoxybenzamide?
N-[2-(diethylamino)-2-phenylethyl]-4-(difluoromethoxy)-3-ethoxybenzamide has a molecular weight of 406.47 g/mol, XLogP of 4.50, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-phenylethyl]-4-(difluoromethoxy)-3-ethoxybenzamide is sourced from PubChem (CID 24649811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).