3-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide

C21H15Cl2FN2O4 — CID 137406783

IUPAC3-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide
SMILESCOc1cc(F)ccc1Oc1c(C(N)=O)cc(Cl)c(Cl)c1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C21H15Cl2FN2O4/c1-29-16-8-12(24)6-7-15(16)30-19-13(21(26)28)9-14(22)18(23)17(19)10-2-4-11(5-3-10)20(25)27/h2-9H,1H3,(H2,25,27)(H2,26,28)
InChIKeyCXOKASFXQYGDOP-UHFFFAOYSA-N
MW449.27 g/mol
LogP4.80
Rot. Bonds6

About 3-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide

3-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide (PubChem CID 137406783) has the molecular formula C21H15Cl2FN2O4 and a molecular weight of 449.27 g/mol. Its IUPAC name is 3-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide.

Molecular Properties

Compound Name3-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide
PubChem CID137406783
Molecular FormulaC21H15Cl2FN2O4
Molecular Weight449.27 g/mol
Exact Mass448.04
IUPAC Name3-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide
SMILESCOc1cc(F)ccc1Oc1c(C(N)=O)cc(Cl)c(Cl)c1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C21H15Cl2FN2O4/c1-29-16-8-12(24)6-7-15(16)30-19-13(21(26)28)9-14(22)18(23)17(19)10-2-4-11(5-3-10)20(25)27/h2-9H,1H3,(H2,25,27)(H2,26,28)
InChIKeyCXOKASFXQYGDOP-UHFFFAOYSA-N
XLogP4.80
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.27
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide
CID 137406676
4-(2-amino-5-fluorophenoxy)-3-methoxybenzamide
CID 62376981
2-chloro-5-fluoro-3-methoxybenzamide
CID 171005053
4-(3,4-dimethoxyphenyl)benzamide
CID 152593806
4-(4-amino-2,6-difluorophenoxy)-3-methoxybenzamide
CID 61015827
2-(2-chloro-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
CID 62621300
3-(3-carbamoyl-4-methoxyphenyl)-2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzamide
CID 154700255
3-chloro-4-(4-chloro-2-methoxyphenoxy)benzamide
CID 86084993
(4-chloro-3-methoxyphenyl)-(2,5-difluorophenyl)methanone
CID 79699081
(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanone
CID 63048757
2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid
CID 53211241
4-(3,4,5-trimethoxyphenyl)benzamide
CID 39746262

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide?
The IUPAC name of 3-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide (CID 137406783) is 3-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide.
What is the SMILES notation for 3-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide?
The canonical SMILES for 3-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide is COc1cc(F)ccc1Oc1c(C(N)=O)cc(Cl)c(Cl)c1-c1ccc(C(N)=O)cc1.
What is the InChIKey of 3-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide?
The InChIKey is CXOKASFXQYGDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2FN2O4/c1-29-16-8-12(24)6-7-15(16)30-19-13(21(26)28)9-14(22)18(23)17(19)10-2-4-11(5-3-10)20(25)27/h2-9H,1H3,(H2,25,27)(H2,26,28).
What are the key properties of 3-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide?
3-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide has a molecular weight of 449.27 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide is sourced from PubChem (CID 137406783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).