N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-3,4-difluorobenzamide

C19H22F2N2O2 — CID 45001628

IUPACN-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-3,4-difluorobenzamide
SMILESCCOc1ccc(C(CNC(=O)c2ccc(F)c(F)c2)N(C)C)cc1
InChIInChI=1S/C19H22F2N2O2/c1-4-25-15-8-5-13(6-9-15)18(23(2)3)12-22-19(24)14-7-10-16(20)17(21)11-14/h5-11,18H,4,12H2,1-3H3,(H,22,24)
InChIKeyVPEVGANWGOZKHZ-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.40
Rot. Bonds7

About N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-3,4-difluorobenzamide

N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-3,4-difluorobenzamide (PubChem CID 45001628) has the molecular formula C19H22F2N2O2 and a molecular weight of 348.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-3,4-difluorobenzamide
PubChem CID45001628
Molecular FormulaC19H22F2N2O2
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC NameN-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-3,4-difluorobenzamide
SMILESCCOc1ccc(C(CNC(=O)c2ccc(F)c(F)c2)N(C)C)cc1
InChIInChI=1S/C19H22F2N2O2/c1-4-25-15-8-5-13(6-9-15)18(23(2)3)12-22-19(24)14-7-10-16(20)17(21)11-14/h5-11,18H,4,12H2,1-3H3,(H,22,24)
InChIKeyVPEVGANWGOZKHZ-UHFFFAOYSA-N
XLogP3.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 45001600
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 40901223
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001623
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3,4-diethoxybenzamide
CID 7495926
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 3564631
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 2129227
3-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-1,1-diethylurea
CID 112503851
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-6-ethoxypyridine-3-carboxamide
CID 87041831
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,4-difluorobenzamide
CID 90557903
4-butoxy-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 7496136
4-butoxy-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 7496138
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-3-methoxybenzamide
CID 46522678

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-3,4-difluorobenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-3,4-difluorobenzamide (CID 45001628) is N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-3,4-difluorobenzamide is CCOc1ccc(C(CNC(=O)c2ccc(F)c(F)c2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-3,4-difluorobenzamide?
The InChIKey is VPEVGANWGOZKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2/c1-4-25-15-8-5-13(6-9-15)18(23(2)3)12-22-19(24)14-7-10-16(20)17(21)11-14/h5-11,18H,4,12H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-3,4-difluorobenzamide?
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-3,4-difluorobenzamide has a molecular weight of 348.39 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-3,4-difluorobenzamide is sourced from PubChem (CID 45001628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).