N-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide

C19H21F2NO3 — CID 112763849

IUPACN-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NC(C)c2ccc(F)cc2F)cc1OCC
InChIInChI=1S/C19H21F2NO3/c1-4-24-17-9-6-13(10-18(17)25-5-2)19(23)22-12(3)15-8-7-14(20)11-16(15)21/h6-12H,4-5H2,1-3H3,(H,22,23)
InChIKeyQYHLZWMZQHRTQC-UHFFFAOYSA-N
MW349.38 g/mol
LogP4.25
Rot. Bonds7

About N-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide

N-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide (PubChem CID 112763849) has the molecular formula C19H21F2NO3 and a molecular weight of 349.38 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide
PubChem CID112763849
Molecular FormulaC19H21F2NO3
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NC(C)c2ccc(F)cc2F)cc1OCC
InChIInChI=1S/C19H21F2NO3/c1-4-24-17-9-6-13(10-18(17)25-5-2)19(23)22-12(3)15-8-7-14(20)11-16(15)21/h6-12H,4-5H2,1-3H3,(H,22,23)
InChIKeyQYHLZWMZQHRTQC-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
2-[4-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119185987
N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 43022798
3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide
CID 43418840
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate
CID 60638339
N-[1-(2,4-difluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 17494652
4-acetamido-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide
CID 26172289
6-(diethylamino)-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 47080122
N-[1-(2,4-difluorophenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 51150363
N-[1-(2,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 42907068

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide (CID 112763849) is N-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)NC(C)c2ccc(F)cc2F)cc1OCC.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide?
The InChIKey is QYHLZWMZQHRTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO3/c1-4-24-17-9-6-13(10-18(17)25-5-2)19(23)22-12(3)15-8-7-14(20)11-16(15)21/h6-12H,4-5H2,1-3H3,(H,22,23).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide?
N-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide 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-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide is sourced from PubChem (CID 112763849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).