N-(3-chloro-4-fluorophenyl)-3-[2-(4-methylphenoxy)propanoylamino]benzamide

C23H20ClFN2O3 — CID 43877922

IUPACN-(3-chloro-4-fluorophenyl)-3-[2-(4-methylphenoxy)propanoylamino]benzamide
SMILESCc1ccc(OC(C)C(=O)Nc2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)cc1
InChIInChI=1S/C23H20ClFN2O3/c1-14-6-9-19(10-7-14)30-15(2)22(28)26-17-5-3-4-16(12-17)23(29)27-18-8-11-21(25)20(24)13-18/h3-13,15H,1-2H3,(H,26,28)(H,27,29)
InChIKeyTVTCTRGKJVPNCV-UHFFFAOYSA-N
MW426.88 g/mol
LogP5.45
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-3-[2-(4-methylphenoxy)propanoylamino]benzamide

N-(3-chloro-4-fluorophenyl)-3-[2-(4-methylphenoxy)propanoylamino]benzamide (PubChem CID 43877922) has the molecular formula C23H20ClFN2O3 and a molecular weight of 426.88 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-[2-(4-methylphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-[2-(4-methylphenoxy)propanoylamino]benzamide
PubChem CID43877922
Molecular FormulaC23H20ClFN2O3
Molecular Weight426.88 g/mol
Exact Mass426.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-[2-(4-methylphenoxy)propanoylamino]benzamide
SMILESCc1ccc(OC(C)C(=O)Nc2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)cc1
InChIInChI=1S/C23H20ClFN2O3/c1-14-6-9-19(10-7-14)30-15(2)22(28)26-17-5-3-4-16(12-17)23(29)27-18-8-11-21(25)20(24)13-18/h3-13,15H,1-2H3,(H,26,28)(H,27,29)
InChIKeyTVTCTRGKJVPNCV-UHFFFAOYSA-N
XLogP5.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.88
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
CID 43877930
3-[2-(4-chlorophenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
CID 43877483
3-[2-(4-methylphenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
CID 43877477
3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 43877946
3-methyl-N-[4-[2-(4-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17252287
2-(4-acetamidophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 24511691
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(3-chlorophenyl)propanamide
CID 7751006
(2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 8578068
N-(3-chloro-4-fluorophenyl)-3-[2-(3-methylphenoxy)butanoylamino]benzamide
CID 43877932
N-(3-chloro-4-fluorophenyl)-3-[2-(2-nitrophenoxy)propanoylamino]benzamide
CID 43877935
N-(3-chloro-4-fluorophenyl)-3-(2-phenoxybutanoylamino)benzamide
CID 43877933
N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 9252923

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[2-(4-methylphenoxy)propanoylamino]benzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[2-(4-methylphenoxy)propanoylamino]benzamide (CID 43877922) is N-(3-chloro-4-fluorophenyl)-3-[2-(4-methylphenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-[2-(4-methylphenoxy)propanoylamino]benzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-[2-(4-methylphenoxy)propanoylamino]benzamide is Cc1ccc(OC(C)C(=O)Nc2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-[2-(4-methylphenoxy)propanoylamino]benzamide?
The InChIKey is TVTCTRGKJVPNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O3/c1-14-6-9-19(10-7-14)30-15(2)22(28)26-17-5-3-4-16(12-17)23(29)27-18-8-11-21(25)20(24)13-18/h3-13,15H,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-[2-(4-methylphenoxy)propanoylamino]benzamide?
N-(3-chloro-4-fluorophenyl)-3-[2-(4-methylphenoxy)propanoylamino]benzamide has a molecular weight of 426.88 g/mol, XLogP of 5.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-[2-(4-methylphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 43877922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).