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

C24H22ClFN2O3 — CID 43877925

IUPACN-(3-chloro-4-fluorophenyl)-3-[2-(2-methylphenoxy)butanoylamino]benzamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C24H22ClFN2O3/c1-3-21(31-22-10-5-4-7-15(22)2)24(30)28-17-9-6-8-16(13-17)23(29)27-18-11-12-20(26)19(25)14-18/h4-14,21H,3H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyVJXAKNZKGVVUIG-UHFFFAOYSA-N
MW440.90 g/mol
LogP5.84
Rot. Bonds7

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

N-(3-chloro-4-fluorophenyl)-3-[2-(2-methylphenoxy)butanoylamino]benzamide (PubChem CID 43877925) 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-methylphenoxy)butanoylamino]benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-[2-(2-methylphenoxy)butanoylamino]benzamide
PubChem CID43877925
Molecular FormulaC24H22ClFN2O3
Molecular Weight440.90 g/mol
Exact Mass440.13
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-[2-(2-methylphenoxy)butanoylamino]benzamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C24H22ClFN2O3/c1-3-21(31-22-10-5-4-7-15(22)2)24(30)28-17-9-6-8-16(13-17)23(29)27-18-11-12-20(26)19(25)14-18/h4-14,21H,3H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyVJXAKNZKGVVUIG-UHFFFAOYSA-N
XLogP5.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.90
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-(2-phenoxybutanoylamino)benzamide
CID 43877933
N-(3-chloro-4-fluorophenyl)-3-[2-(3-methylphenoxy)butanoylamino]benzamide
CID 43877932
(2S)-N-(3-chloro-4-fluorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 94012112
N-(3-chloro-4-fluorophenyl)-2-(2-chlorophenoxy)butanamide
CID 43905967
(2S)-N-(3-fluorophenyl)-2-(2-methylphenoxy)butanamide
CID 92686201
N-(3-chloro-4-fluorophenyl)-3-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
CID 43877930
(2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide
CID 673599
N-(3-chloro-4-fluorophenyl)-2-(3-methylphenoxy)butanamide
CID 4928544
N-(3-amino-4-chlorophenyl)-2-(2-methylphenoxy)butanamide
CID 46735826
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)butanamide
CID 43886287
4-tert-butyl-N-[4-[2-(2-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235025
N-(3-aminophenyl)-2-(2-methylphenoxy)butanamide
CID 46735775

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[2-(2-methylphenoxy)butanoylamino]benzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[2-(2-methylphenoxy)butanoylamino]benzamide (CID 43877925) is N-(3-chloro-4-fluorophenyl)-3-[2-(2-methylphenoxy)butanoylamino]benzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-[2-(2-methylphenoxy)butanoylamino]benzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-[2-(2-methylphenoxy)butanoylamino]benzamide is CCC(Oc1ccccc1C)C(=O)Nc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-[2-(2-methylphenoxy)butanoylamino]benzamide?
The InChIKey is VJXAKNZKGVVUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN2O3/c1-3-21(31-22-10-5-4-7-15(22)2)24(30)28-17-9-6-8-16(13-17)23(29)27-18-11-12-20(26)19(25)14-18/h4-14,21H,3H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-[2-(2-methylphenoxy)butanoylamino]benzamide?
N-(3-chloro-4-fluorophenyl)-3-[2-(2-methylphenoxy)butanoylamino]benzamide has a molecular weight of 440.90 g/mol, XLogP of 5.84, 7 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-methylphenoxy)butanoylamino]benzamide is sourced from PubChem (CID 43877925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).