3-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-5-methoxybenzamide

C17H16ClF2NO3S — CID 26908340

IUPAC3-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccc(SC(F)F)cc2)cc1OC
InChIInChI=1S/C17H16ClF2NO3S/c1-3-24-15-13(18)8-10(9-14(15)23-2)16(22)21-11-4-6-12(7-5-11)25-17(19)20/h4-9,17H,3H2,1-2H3,(H,21,22)
InChIKeyRMWTXCVJDDPZNR-UHFFFAOYSA-N
MW387.84 g/mol
LogP5.31
Rot. Bonds7

About 3-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-5-methoxybenzamide

3-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-5-methoxybenzamide (PubChem CID 26908340) has the molecular formula C17H16ClF2NO3S and a molecular weight of 387.84 g/mol. Its IUPAC name is 3-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-5-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-5-methoxybenzamide
PubChem CID26908340
Molecular FormulaC17H16ClF2NO3S
Molecular Weight387.84 g/mol
Exact Mass387.05
IUPAC Name3-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccc(SC(F)F)cc2)cc1OC
InChIInChI=1S/C17H16ClF2NO3S/c1-3-24-15-13(18)8-10(9-14(15)23-2)16(22)21-11-4-6-12(7-5-11)25-17(19)20/h4-9,17H,3H2,1-2H3,(H,21,22)
InChIKeyRMWTXCVJDDPZNR-UHFFFAOYSA-N
XLogP5.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.84
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethylsulfanyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4024378
N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 26908446
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
N-(3-chloro-4-methoxyphenyl)-4-(difluoromethylsulfanyl)benzamide
CID 24616144
3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide
CID 3306078
4-butoxy-3-chloro-N-[4-(difluoromethoxy)phenyl]-5-methoxybenzamide
CID 18266478
ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate
CID 26253075
3-chloro-4-ethoxy-N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-methoxybenzamide
CID 24659660
3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17470046
3-chloro-4-ethoxy-5-methoxy-N-pyridin-3-ylbenzamide
CID 25343284
3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679409
N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide
CID 7913840

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-5-methoxybenzamide?
The IUPAC name of 3-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-5-methoxybenzamide (CID 26908340) is 3-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-5-methoxybenzamide.
What is the SMILES notation for 3-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-5-methoxybenzamide?
The canonical SMILES for 3-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-5-methoxybenzamide is CCOc1c(Cl)cc(C(=O)Nc2ccc(SC(F)F)cc2)cc1OC.
What is the InChIKey of 3-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-5-methoxybenzamide?
The InChIKey is RMWTXCVJDDPZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2NO3S/c1-3-24-15-13(18)8-10(9-14(15)23-2)16(22)21-11-4-6-12(7-5-11)25-17(19)20/h4-9,17H,3H2,1-2H3,(H,21,22).
What are the key properties of 3-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-5-methoxybenzamide?
3-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-5-methoxybenzamide has a molecular weight of 387.84 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-5-methoxybenzamide is sourced from PubChem (CID 26908340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).