N-[[3,5-dichloro-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide

C26H16Cl2F2N2O3 — CID 70402586

IUPACN-[[3,5-dichloro-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(Oc2ccccc2-c2ccccc2)c(Cl)c1
InChIInChI=1S/C26H16Cl2F2N2O3/c27-18-13-16(31-26(34)32-25(33)23-20(29)10-6-11-21(23)30)14-19(28)24(18)35-22-12-5-4-9-17(22)15-7-2-1-3-8-15/h1-14H,(H2,31,32,33,34)
InChIKeyKCLWWDLOHSMWGX-UHFFFAOYSA-N
MW513.33 g/mol
LogP7.69
Rot. Bonds5

About N-[[3,5-dichloro-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide

N-[[3,5-dichloro-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 70402586) has the molecular formula C26H16Cl2F2N2O3 and a molecular weight of 513.33 g/mol. Its IUPAC name is N-[[3,5-dichloro-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[3,5-dichloro-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
PubChem CID70402586
Molecular FormulaC26H16Cl2F2N2O3
Molecular Weight513.33 g/mol
Exact Mass512.05
IUPAC NameN-[[3,5-dichloro-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(Oc2ccccc2-c2ccccc2)c(Cl)c1
InChIInChI=1S/C26H16Cl2F2N2O3/c27-18-13-16(31-26(34)32-25(33)23-20(29)10-6-11-21(23)30)14-19(28)24(18)35-22-12-5-4-9-17(22)15-7-2-1-3-8-15/h1-14H,(H2,31,32,33,34)
InChIKeyKCLWWDLOHSMWGX-UHFFFAOYSA-N
XLogP7.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.33
LogP ≤ 57.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3,5-dichloro-4-(4-nitro-2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 19072689
N-[[5-chloro-2-methyl-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 19072665
4-[2,6-dichloro-4-[(2,6-dichlorobenzoyl)carbamoylamino]phenoxy]-3-phenylbenzoic acid
CID 19072682
N-[(3,5-dichloro-4-methoxyphenyl)carbamoyl]-2,6-difluorobenzamide
CID 54288472
N-[[4-(4-chloronaphthalen-1-yl)oxy-3,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 13262079
N-[[2,5-dichloro-4-[(2-phenylphenyl)methoxy]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 70401584
2,6-difluoro-N-[(3-phenyl-4-phenylmethoxyphenyl)carbamoyl]benzamide
CID 134113957
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007
N-[[4-(3,4-dichlorophenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide
CID 134117338
N-[[4-[(2-chlorophenoxy)methyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 70577810
2,6-difluoro-N-[[3-methoxy-4-(4-methoxyphenyl)phenyl]carbamoyl]benzamide
CID 15452397
N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276006

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[3,5-dichloro-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide (CID 70402586) is N-[[3,5-dichloro-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[3,5-dichloro-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[3,5-dichloro-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide is O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(Oc2ccccc2-c2ccccc2)c(Cl)c1.
What is the InChIKey of N-[[3,5-dichloro-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is KCLWWDLOHSMWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl2F2N2O3/c27-18-13-16(31-26(34)32-25(33)23-20(29)10-6-11-21(23)30)14-19(28)24(18)35-22-12-5-4-9-17(22)15-7-2-1-3-8-15/h1-14H,(H2,31,32,33,34).
What are the key properties of N-[[3,5-dichloro-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide?
N-[[3,5-dichloro-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 513.33 g/mol, XLogP of 7.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dichloro-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 70402586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).