N-[[3-chloro-4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide

C22H16Cl2F2N2O3 — CID 20524417

IUPACN-[[3-chloro-4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide
SMILESCC(Oc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C22H16Cl2F2N2O3/c1-12(13-5-7-14(23)8-6-13)31-19-10-9-15(11-16(19)24)27-22(30)28-21(29)20-17(25)3-2-4-18(20)26/h2-12H,1H3,(H2,27,28,29,30)
InChIKeySGVVJWUGDRZJCL-UHFFFAOYSA-N
MW465.28 g/mol
LogP6.37
Rot. Bonds5

About N-[[3-chloro-4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide

N-[[3-chloro-4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 20524417) has the molecular formula C22H16Cl2F2N2O3 and a molecular weight of 465.28 g/mol. Its IUPAC name is N-[[3-chloro-4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[3-chloro-4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide
PubChem CID20524417
Molecular FormulaC22H16Cl2F2N2O3
Molecular Weight465.28 g/mol
Exact Mass464.05
IUPAC NameN-[[3-chloro-4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide
SMILESCC(Oc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C22H16Cl2F2N2O3/c1-12(13-5-7-14(23)8-6-13)31-19-10-9-15(11-16(19)24)27-22(30)28-21(29)20-17(25)3-2-4-18(20)26/h2-12H,1H3,(H2,27,28,29,30)
InChIKeySGVVJWUGDRZJCL-UHFFFAOYSA-N
XLogP6.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.28
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007
N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276006
N-[(3,5-dichloro-4-methoxyphenyl)carbamoyl]-2,6-difluorobenzamide
CID 54288472
N-[[4-[1-(4-chlorophenyl)ethoxy]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylbenzamide
CID 20524556
2,6-difluoro-N-[[4-(1-phenylmethoxyethyl)phenyl]carbamoyl]benzamide
CID 70575675
N-[[4-(3,4-dichlorophenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide
CID 134117338
2-chloro-N-[[3-chloro-4-[(2,2-dichlorocyclopropyl)methoxy]phenyl]carbamoyl]-6-fluorobenzamide
CID 23454911
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chlorophenyl)urea
CID 8002775
N-[[4-(difluoromethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 134110234
N-[2-[1-(4-chlorophenyl)ethoxy]-6-fluorophenyl]-2,2-dimethylpropanamide
CID 18801058
N-[(4-chlorophenyl)carbamoyl]-2,4,6-trifluorobenzamide
CID 53439408
2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 23276641

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[3-chloro-4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide (CID 20524417) is N-[[3-chloro-4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[3-chloro-4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[3-chloro-4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide is CC(Oc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of N-[[3-chloro-4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is SGVVJWUGDRZJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2F2N2O3/c1-12(13-5-7-14(23)8-6-13)31-19-10-9-15(11-16(19)24)27-22(30)28-21(29)20-17(25)3-2-4-18(20)26/h2-12H,1H3,(H2,27,28,29,30).
What are the key properties of N-[[3-chloro-4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide?
N-[[3-chloro-4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 465.28 g/mol, XLogP of 6.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 20524417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).