N-(3-chloro-4-fluorophenyl)-3-(2-phenoxybutanoylamino)benzamide

C23H20ClFN2O3 — CID 43877933

IUPACN-(3-chloro-4-fluorophenyl)-3-(2-phenoxybutanoylamino)benzamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C23H20ClFN2O3/c1-2-21(30-18-9-4-3-5-10-18)23(29)27-16-8-6-7-15(13-16)22(28)26-17-11-12-20(25)19(24)14-17/h3-14,21H,2H2,1H3,(H,26,28)(H,27,29)
InChIKeyUMTNVYWAQNCJIK-UHFFFAOYSA-N
MW426.88 g/mol
LogP5.53
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-3-(2-phenoxybutanoylamino)benzamide

N-(3-chloro-4-fluorophenyl)-3-(2-phenoxybutanoylamino)benzamide (PubChem CID 43877933) 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-phenoxybutanoylamino)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-(2-phenoxybutanoylamino)benzamide
PubChem CID43877933
Molecular FormulaC23H20ClFN2O3
Molecular Weight426.88 g/mol
Exact Mass426.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-(2-phenoxybutanoylamino)benzamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C23H20ClFN2O3/c1-2-21(30-18-9-4-3-5-10-18)23(29)27-16-8-6-7-15(13-16)22(28)26-17-11-12-20(25)19(24)14-17/h3-14,21H,2H2,1H3,(H,26,28)(H,27,29)
InChIKeyUMTNVYWAQNCJIK-UHFFFAOYSA-N
XLogP5.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.88
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-[2-(3-methylphenoxy)butanoylamino]benzamide
CID 43877932
(2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide
CID 673599
N-(3-chloro-4-fluorophenyl)-3-[2-(2-methylphenoxy)butanoylamino]benzamide
CID 43877925
N-(3-chloro-4-fluorophenyl)-2-(3-methylphenoxy)butanamide
CID 4928544
N-tert-butyl-3-(2-phenoxybutanoylamino)benzamide
CID 43887296
N-(3-chloro-4-fluorophenyl)-3-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 43877922
N-(3-chloro-4-fluorophenyl)-2-(2-chlorophenoxy)butanamide
CID 43905967
2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide
CID 17154738
N-[4-[2-(3-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235402
N-(3,5-dichlorophenyl)-2-phenoxybutanamide
CID 4099409
3-(butanoylamino)-N-(3-chloro-4-fluorophenyl)benzamide
CID 26166630
(2S)-N-(3-chloro-4-fluorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 94012112

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(2-phenoxybutanoylamino)benzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(2-phenoxybutanoylamino)benzamide (CID 43877933) is N-(3-chloro-4-fluorophenyl)-3-(2-phenoxybutanoylamino)benzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-(2-phenoxybutanoylamino)benzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-(2-phenoxybutanoylamino)benzamide is CCC(Oc1ccccc1)C(=O)Nc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-(2-phenoxybutanoylamino)benzamide?
The InChIKey is UMTNVYWAQNCJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O3/c1-2-21(30-18-9-4-3-5-10-18)23(29)27-16-8-6-7-15(13-16)22(28)26-17-11-12-20(25)19(24)14-17/h3-14,21H,2H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-(2-phenoxybutanoylamino)benzamide?
N-(3-chloro-4-fluorophenyl)-3-(2-phenoxybutanoylamino)benzamide has a molecular weight of 426.88 g/mol, XLogP of 5.53, 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-phenoxybutanoylamino)benzamide is sourced from PubChem (CID 43877933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).