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

C21H15Cl2FN2O4 — CID 137406676

IUPACN-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide
SMILESCOc1cc(F)ccc1Oc1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C21H15Cl2FN2O4/c1-29-19-8-12(24)4-7-17(19)30-18-10-16(23)15(22)9-14(18)21(28)26-13-5-2-11(3-6-13)20(25)27/h2-10H,1H3,(H2,25,27)(H,26,28)
InChIKeyXBFJPEQJAOZIKI-UHFFFAOYSA-N
MW449.27 g/mol
LogP5.28
Rot. Bonds6

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

N-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide (PubChem CID 137406676) has the molecular formula C21H15Cl2FN2O4 and a molecular weight of 449.27 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide
PubChem CID137406676
Molecular FormulaC21H15Cl2FN2O4
Molecular Weight449.27 g/mol
Exact Mass448.04
IUPAC NameN-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide
SMILESCOc1cc(F)ccc1Oc1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C21H15Cl2FN2O4/c1-29-19-8-12(24)4-7-17(19)30-18-10-16(23)15(22)9-14(18)21(28)26-13-5-2-11(3-6-13)20(25)27/h2-10H,1H3,(H2,25,27)(H,26,28)
InChIKeyXBFJPEQJAOZIKI-UHFFFAOYSA-N
XLogP5.28
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.27
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methylphenoxy)benzamide
CID 137406555
4,5-dichloro-N-(1-ethyl-2-oxo-4-pyridinyl)-2-(4-fluoro-2-methoxyphenoxy)benzamide
CID 138493367
N-(4-acetamidophenyl)-5-fluoro-2-methoxybenzamide
CID 31063829
tris[[4-[[4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzoyl]amino]-2-oxo-1-pyridinyl]methyl] phosphate
CID 118126627
3-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide
CID 137406783
[3-[4-[[4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzoyl]amino]-2-oxo-1-pyridinyl]-2,2,4,4-tetramethylpentan-3-yl] dihydrogen phosphate
CID 118646124
N-(4-carbamoylphenyl)-4-fluoro-2-methylbenzamide
CID 115745097
N-(4-carbamoylphenyl)-2,6-dimethoxybenzamide
CID 4126051
4-(2-amino-5-fluorophenoxy)-3-methoxybenzamide
CID 62376981
N-(4-carbamoylphenyl)-N'-(3-chloro-4-methoxyphenyl)oxamide
CID 108501263
N-(3-chloro-4-cyanophenyl)-5-fluoro-2-methoxybenzamide
CID 31115517
[4-[[4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate
CID 118139745

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide?
The IUPAC name of N-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide (CID 137406676) is N-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide?
The canonical SMILES for N-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide is COc1cc(F)ccc1Oc1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide?
The InChIKey is XBFJPEQJAOZIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2FN2O4/c1-29-19-8-12(24)4-7-17(19)30-18-10-16(23)15(22)9-14(18)21(28)26-13-5-2-11(3-6-13)20(25)27/h2-10H,1H3,(H2,25,27)(H,26,28).
What are the key properties of N-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide?
N-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide has a molecular weight of 449.27 g/mol, XLogP of 5.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide is sourced from PubChem (CID 137406676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).