N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide

C17H17ClFNO3 — CID 3371739

IUPACN-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1OCC
InChIInChI=1S/C17H17ClFNO3/c1-3-22-15-8-5-11(9-16(15)23-4-2)17(21)20-12-6-7-14(19)13(18)10-12/h5-10H,3-4H2,1-2H3,(H,20,21)
InChIKeyPSKHVWFPAKLIFK-UHFFFAOYSA-N
MW337.78 g/mol
LogP4.53
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide

N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide (PubChem CID 3371739) has the molecular formula C17H17ClFNO3 and a molecular weight of 337.78 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide
PubChem CID3371739
Molecular FormulaC17H17ClFNO3
Molecular Weight337.78 g/mol
Exact Mass337.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1OCC
InChIInChI=1S/C17H17ClFNO3/c1-3-22-15-8-5-11(9-16(15)23-4-2)17(21)20-12-6-7-14(19)13(18)10-12/h5-10H,3-4H2,1-2H3,(H,20,21)
InChIKeyPSKHVWFPAKLIFK-UHFFFAOYSA-N
XLogP4.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-3,4-diethoxybenzamide
CID 3371741
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518
3-bromo-4-butoxy-N-(3-chloro-4-fluorophenyl)benzamide
CID 4955807
N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide
CID 3894156
N-[3-chloro-4-(propylcarbamoyl)phenyl]-3,4-diethoxybenzamide
CID 60576494
2-chloro-N-(3,4-diethoxyphenyl)-4,5-difluorobenzamide
CID 2569815
3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-fluorobenzamide
CID 103706990
3-chloro-N-(3-chloro-4-ethoxyphenyl)-4-iodobenzamide
CID 103221287
N-(3-chloro-4-fluorophenyl)-2-(2-ethoxyphenoxy)acetamide
CID 2578584
3-bromo-N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-4-propoxybenzamide
CID 26166839
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3,4-difluorobenzamide
CID 39171469
N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide (CID 3371739) is N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1OCC.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide?
The InChIKey is PSKHVWFPAKLIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO3/c1-3-22-15-8-5-11(9-16(15)23-4-2)17(21)20-12-6-7-14(19)13(18)10-12/h5-10H,3-4H2,1-2H3,(H,20,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide?
N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide has a molecular weight of 337.78 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide is sourced from PubChem (CID 3371739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).