N-(3-chloro-4-fluorophenyl)-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide

C24H22ClFN2O3 — CID 43877930

IUPACN-(3-chloro-4-fluorophenyl)-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
SMILESCc1ccc(C)c(OC(C)C(=O)Nc2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)c1
InChIInChI=1S/C24H22ClFN2O3/c1-14-7-8-15(2)22(11-14)31-16(3)23(29)27-18-6-4-5-17(12-18)24(30)28-19-9-10-21(26)20(25)13-19/h4-13,16H,1-3H3,(H,27,29)(H,28,30)
InChIKeyVOGWHVFBVFNQAI-UHFFFAOYSA-N
MW440.90 g/mol
LogP5.75
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide

N-(3-chloro-4-fluorophenyl)-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide (PubChem CID 43877930) has the molecular formula C24H22ClFN2O3 and a molecular weight of 440.90 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
PubChem CID43877930
Molecular FormulaC24H22ClFN2O3
Molecular Weight440.90 g/mol
Exact Mass440.13
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
SMILESCc1ccc(C)c(OC(C)C(=O)Nc2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)c1
InChIInChI=1S/C24H22ClFN2O3/c1-14-7-8-15(2)22(11-14)31-16(3)23(29)27-18-6-4-5-17(12-18)24(30)28-19-9-10-21(26)20(25)13-19/h4-13,16H,1-3H3,(H,27,29)(H,28,30)
InChIKeyVOGWHVFBVFNQAI-UHFFFAOYSA-N
XLogP5.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.90
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 43877922
3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 43877946
N-(3-chloro-4-fluorophenyl)-3-[2-(2-nitrophenoxy)propanoylamino]benzamide
CID 43877935
(2S)-N-(3-chloro-4-fluorophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 28631237
N-(3-chloro-4-fluorophenyl)-3-[2-(2-methylphenoxy)butanoylamino]benzamide
CID 43877925
(2R)-N-(3-chloro-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2683063
3-[2-(4-chlorophenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
CID 43877483
N-(3-chloro-4-fluorophenyl)-3-[2-(3-methylphenoxy)butanoylamino]benzamide
CID 43877932
ethyl 3-[[(2R)-2-(2,5-dimethylphenoxy)propanoyl]amino]benzoate
CID 95078439
N-benzyl-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
CID 43887128
2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
CID 4945097
3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 17197387

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide (CID 43877930) is N-(3-chloro-4-fluorophenyl)-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide is Cc1ccc(C)c(OC(C)C(=O)Nc2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide?
The InChIKey is VOGWHVFBVFNQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN2O3/c1-14-7-8-15(2)22(11-14)31-16(3)23(29)27-18-6-4-5-17(12-18)24(30)28-19-9-10-21(26)20(25)13-19/h4-13,16H,1-3H3,(H,27,29)(H,28,30).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide?
N-(3-chloro-4-fluorophenyl)-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide has a molecular weight of 440.90 g/mol, XLogP of 5.75, 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-(2,5-dimethylphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 43877930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).