3-chloro-N-[2-(difluoromethoxy)phenyl]-4-ethoxybenzamide

C16H14ClF2NO3 — CID 1256588

IUPAC3-chloro-N-[2-(difluoromethoxy)phenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1Cl
InChIInChI=1S/C16H14ClF2NO3/c1-2-22-13-8-7-10(9-11(13)17)15(21)20-12-5-3-4-6-14(12)23-16(18)19/h3-9,16H,2H2,1H3,(H,20,21)
InChIKeyIJFGEPPETWSHSY-UHFFFAOYSA-N
MW341.74 g/mol
LogP4.59
Rot. Bonds6

About 3-chloro-N-[2-(difluoromethoxy)phenyl]-4-ethoxybenzamide

3-chloro-N-[2-(difluoromethoxy)phenyl]-4-ethoxybenzamide (PubChem CID 1256588) has the molecular formula C16H14ClF2NO3 and a molecular weight of 341.74 g/mol. Its IUPAC name is 3-chloro-N-[2-(difluoromethoxy)phenyl]-4-ethoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(difluoromethoxy)phenyl]-4-ethoxybenzamide
PubChem CID1256588
Molecular FormulaC16H14ClF2NO3
Molecular Weight341.74 g/mol
Exact Mass341.06
IUPAC Name3-chloro-N-[2-(difluoromethoxy)phenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1Cl
InChIInChI=1S/C16H14ClF2NO3/c1-2-22-13-8-7-10(9-11(13)17)15(21)20-12-5-3-4-6-14(12)23-16(18)19/h3-9,16H,2H2,1H3,(H,20,21)
InChIKeyIJFGEPPETWSHSY-UHFFFAOYSA-N
XLogP4.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.74
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-3-ethoxybenzamide
CID 934563
4-(difluoromethoxy)-N-[2-(difluoromethoxy)phenyl]-3-methoxybenzamide
CID 8502681
N-[2-(difluoromethoxy)phenyl]-2-ethoxybenzamide
CID 17394090
3-chloro-N-(3-chloro-2-methylphenyl)-4-ethoxybenzamide
CID 886779
3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151006
4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide
CID 3461612
N'-[2-(2-chlorophenoxy)acetyl]-4-(difluoromethoxy)-3-ethoxybenzohydrazide
CID 9470195
4-ethoxy-3-methyl-N-(2-propan-2-yloxyphenyl)benzamide
CID 86938124
3,5-dichloro-N-(2-ethoxyphenyl)benzamide
CID 2442507
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2397865
N-[2-(difluoromethoxy)phenyl]-3,4-dihydroxybenzamide
CID 103955493
N-[2-(difluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 953096

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(difluoromethoxy)phenyl]-4-ethoxybenzamide?
The IUPAC name of 3-chloro-N-[2-(difluoromethoxy)phenyl]-4-ethoxybenzamide (CID 1256588) is 3-chloro-N-[2-(difluoromethoxy)phenyl]-4-ethoxybenzamide.
What is the SMILES notation for 3-chloro-N-[2-(difluoromethoxy)phenyl]-4-ethoxybenzamide?
The canonical SMILES for 3-chloro-N-[2-(difluoromethoxy)phenyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1Cl.
What is the InChIKey of 3-chloro-N-[2-(difluoromethoxy)phenyl]-4-ethoxybenzamide?
The InChIKey is IJFGEPPETWSHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO3/c1-2-22-13-8-7-10(9-11(13)17)15(21)20-12-5-3-4-6-14(12)23-16(18)19/h3-9,16H,2H2,1H3,(H,20,21).
What are the key properties of 3-chloro-N-[2-(difluoromethoxy)phenyl]-4-ethoxybenzamide?
3-chloro-N-[2-(difluoromethoxy)phenyl]-4-ethoxybenzamide has a molecular weight of 341.74 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(difluoromethoxy)phenyl]-4-ethoxybenzamide is sourced from PubChem (CID 1256588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).