4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide

C18H19F2NO3 — CID 42906041

IUPAC4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide
SMILESCCOc1cc(C(=O)NC(C)c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C18H19F2NO3/c1-3-23-16-11-14(9-10-15(16)24-18(19)20)17(22)21-12(2)13-7-5-4-6-8-13/h4-12,18H,3H2,1-2H3,(H,21,22)
InChIKeyMROBZOKHZCDNDO-UHFFFAOYSA-N
MW335.35 g/mol
LogP4.18
Rot. Bonds7

About 4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide

4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide (PubChem CID 42906041) has the molecular formula C18H19F2NO3 and a molecular weight of 335.35 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide
PubChem CID42906041
Molecular FormulaC18H19F2NO3
Molecular Weight335.35 g/mol
Exact Mass335.13
IUPAC Name4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide
SMILESCCOc1cc(C(=O)NC(C)c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C18H19F2NO3/c1-3-23-16-11-14(9-10-15(16)24-18(19)20)17(22)21-12(2)13-7-5-4-6-8-13/h4-12,18H,3H2,1-2H3,(H,21,22)
InChIKeyMROBZOKHZCDNDO-UHFFFAOYSA-N
XLogP4.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide
CID 3461612
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide
CID 9315107
N-[2-(diethylamino)-2-phenylethyl]-4-(difluoromethoxy)-3-ethoxybenzamide
CID 24649811
4-(difluoromethoxy)-3-ethoxy-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 8752340
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607
1-N-(2-ethoxyphenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054483
4-(difluoromethoxy)-3-ethoxy-N'-(2-fluorobenzoyl)benzohydrazide
CID 9402051
N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 43022798
N-[(1S)-1-(2-bromophenyl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9220094
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide (CID 42906041) is 4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide is CCOc1cc(C(=O)NC(C)c2ccccc2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide?
The InChIKey is MROBZOKHZCDNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3/c1-3-23-16-11-14(9-10-15(16)24-18(19)20)17(22)21-12(2)13-7-5-4-6-8-13/h4-12,18H,3H2,1-2H3,(H,21,22).
What are the key properties of 4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide?
4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide has a molecular weight of 335.35 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 42906041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).