N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide

C19H21F2NO3 — CID 43022798

IUPACN-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccc(F)c(F)c2)cc1OCC
InChIInChI=1S/C19H21F2NO3/c1-4-24-17-9-7-13(11-18(17)25-5-2)12(3)22-19(23)14-6-8-15(20)16(21)10-14/h6-12H,4-5H2,1-3H3,(H,22,23)
InChIKeyMCJLGTZVKMFYBZ-UHFFFAOYSA-N
MW349.38 g/mol
LogP4.25
Rot. Bonds7

About N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide

N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide (PubChem CID 43022798) has the molecular formula C19H21F2NO3 and a molecular weight of 349.38 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide
PubChem CID43022798
Molecular FormulaC19H21F2NO3
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC NameN-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccc(F)c(F)c2)cc1OCC
InChIInChI=1S/C19H21F2NO3/c1-4-24-17-9-7-13(11-18(17)25-5-2)12(3)22-19(23)14-6-8-15(20)16(21)10-14/h6-12H,4-5H2,1-3H3,(H,22,23)
InChIKeyMCJLGTZVKMFYBZ-UHFFFAOYSA-N
XLogP4.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607
4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 2450618
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide
CID 7936483
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705940
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide
CID 27136904
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8620540
4-cyano-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 7936479
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 7936459
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 9418967
N-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide
CID 112763849

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide (CID 43022798) is N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide is CCOc1ccc(C(C)NC(=O)c2ccc(F)c(F)c2)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide?
The InChIKey is MCJLGTZVKMFYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO3/c1-4-24-17-9-7-13(11-18(17)25-5-2)12(3)22-19(23)14-6-8-15(20)16(21)10-14/h6-12H,4-5H2,1-3H3,(H,22,23).
What are the key properties of N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide?
N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide has a molecular weight of 349.38 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide is sourced from PubChem (CID 43022798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).