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

C21H15Cl2FN2O3 — CID 137406555

IUPACN-(3-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methylphenoxy)benzamide
SMILESCc1cc(F)ccc1Oc1cc(Cl)c(Cl)cc1C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C21H15Cl2FN2O3/c1-11-7-13(24)5-6-18(11)29-19-10-17(23)16(22)9-15(19)21(28)26-14-4-2-3-12(8-14)20(25)27/h2-10H,1H3,(H2,25,27)(H,26,28)
InChIKeyZWDWQIHTONYZIW-UHFFFAOYSA-N
MW433.27 g/mol
LogP5.58
Rot. Bonds5

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

N-(3-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methylphenoxy)benzamide (PubChem CID 137406555) has the molecular formula C21H15Cl2FN2O3 and a molecular weight of 433.27 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methylphenoxy)benzamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methylphenoxy)benzamide
PubChem CID137406555
Molecular FormulaC21H15Cl2FN2O3
Molecular Weight433.27 g/mol
Exact Mass432.04
IUPAC NameN-(3-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methylphenoxy)benzamide
SMILESCc1cc(F)ccc1Oc1cc(Cl)c(Cl)cc1C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C21H15Cl2FN2O3/c1-11-7-13(24)5-6-18(11)29-19-10-17(23)16(22)9-15(19)21(28)26-14-4-2-3-12(8-14)20(25)27/h2-10H,1H3,(H2,25,27)(H,26,28)
InChIKeyZWDWQIHTONYZIW-UHFFFAOYSA-N
XLogP5.58
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.27
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide
CID 137406676
5-amino-N-(3-carbamoylphenyl)-2-fluoro-3-methylbenzamide
CID 103296054
N-(3-carbamoylphenyl)-2-ethoxybenzamide
CID 25049798
N-(4-carbamoylphenyl)-4-fluoro-2-methylbenzamide
CID 115745097
N-(3-carbamoylphenyl)-2,5-dimethylbenzamide
CID 17394434
methyl 3-[(2,4-difluorobenzoyl)amino]benzoate
CID 40652964
4,5-dichloro-N-(1-ethyl-2-oxo-4-pyridinyl)-2-(4-fluoro-2-methoxyphenoxy)benzamide
CID 138493367
2-chloro-6-(4-fluoro-2-methylphenoxy)-4-methyl-N-(1-oxidopyridin-1-ium-3-yl)benzamide
CID 170241443
N-(3-carbamoylphenyl)-2-[2-(difluoromethoxy)phenoxy]-5-(trifluoromethyl)benzamide
CID 137411002
2-amino-N-(3-carbamoylphenyl)benzamide
CID 43402945
N-[4-[(3-carbamoylphenyl)carbamothioylamino]phenyl]-2-fluorobenzamide
CID 15955740
N-(3-carbamoylphenyl)-2-pentoxybenzamide
CID 26160536

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methylphenoxy)benzamide?
The IUPAC name of N-(3-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methylphenoxy)benzamide (CID 137406555) is N-(3-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methylphenoxy)benzamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methylphenoxy)benzamide?
The canonical SMILES for N-(3-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methylphenoxy)benzamide is Cc1cc(F)ccc1Oc1cc(Cl)c(Cl)cc1C(=O)Nc1cccc(C(N)=O)c1.
What is the InChIKey of N-(3-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methylphenoxy)benzamide?
The InChIKey is ZWDWQIHTONYZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2FN2O3/c1-11-7-13(24)5-6-18(11)29-19-10-17(23)16(22)9-15(19)21(28)26-14-4-2-3-12(8-14)20(25)27/h2-10H,1H3,(H2,25,27)(H,26,28).
What are the key properties of N-(3-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methylphenoxy)benzamide?
N-(3-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methylphenoxy)benzamide has a molecular weight of 433.27 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methylphenoxy)benzamide is sourced from PubChem (CID 137406555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).