2-chloro-N-[[3-chloro-4-[(2,2-dichlorocyclopropyl)methoxy]phenyl]carbamoyl]-6-fluorobenzamide

C18H13Cl4FN2O3 — CID 23454911

IUPAC2-chloro-N-[[3-chloro-4-[(2,2-dichlorocyclopropyl)methoxy]phenyl]carbamoyl]-6-fluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1Cl)Nc1ccc(OCC2CC2(Cl)Cl)c(Cl)c1
InChIInChI=1S/C18H13Cl4FN2O3/c19-11-2-1-3-13(23)15(11)16(26)25-17(27)24-10-4-5-14(12(20)6-10)28-8-9-7-18(9,21)22/h1-6,9H,7-8H2,(H2,24,25,26,27)
InChIKeyMDRRCUVJMOZINZ-UHFFFAOYSA-N
MW466.12 g/mol
LogP5.67
Rot. Bonds5

About 2-chloro-N-[[3-chloro-4-[(2,2-dichlorocyclopropyl)methoxy]phenyl]carbamoyl]-6-fluorobenzamide

2-chloro-N-[[3-chloro-4-[(2,2-dichlorocyclopropyl)methoxy]phenyl]carbamoyl]-6-fluorobenzamide (PubChem CID 23454911) has the molecular formula C18H13Cl4FN2O3 and a molecular weight of 466.12 g/mol. Its IUPAC name is 2-chloro-N-[[3-chloro-4-[(2,2-dichlorocyclopropyl)methoxy]phenyl]carbamoyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[[3-chloro-4-[(2,2-dichlorocyclopropyl)methoxy]phenyl]carbamoyl]-6-fluorobenzamide
PubChem CID23454911
Molecular FormulaC18H13Cl4FN2O3
Molecular Weight466.12 g/mol
Exact Mass463.97
IUPAC Name2-chloro-N-[[3-chloro-4-[(2,2-dichlorocyclopropyl)methoxy]phenyl]carbamoyl]-6-fluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1Cl)Nc1ccc(OCC2CC2(Cl)Cl)c(Cl)c1
InChIInChI=1S/C18H13Cl4FN2O3/c19-11-2-1-3-13(23)15(11)16(26)25-17(27)24-10-4-5-14(12(20)6-10)28-8-9-7-18(9,21)22/h1-6,9H,7-8H2,(H2,24,25,26,27)
InChIKeyMDRRCUVJMOZINZ-UHFFFAOYSA-N
XLogP5.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.12
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[3-chloro-4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 20524417
N-[[4-[(2-chlorophenoxy)methyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 70577810
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007
N-[(3,5-dichloro-4-methoxyphenyl)carbamoyl]-2,6-difluorobenzamide
CID 54288472
N-[[3,5-dichloro-4-(2-phenylphenoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 70402586
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276006
2-bromo-N-(3-chloro-4-ethoxyphenyl)-6-fluorobenzamide
CID 115678420
2-chloro-6-fluoro-N-[(4-naphthalen-1-ylsulfanylphenyl)carbamoyl]benzamide
CID 57245040
N-[[4-(3,4-dichlorophenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide
CID 134117338
2-chloro-N-[(2,6-dichloro-4-cyanophenyl)carbamoyl]-6-fluorobenzamide
CID 2797979
2,6-difluoro-N-[(3-methyl-4-phenylmethoxyphenyl)carbamoyl]benzamide
CID 20524527

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-chloro-4-[(2,2-dichlorocyclopropyl)methoxy]phenyl]carbamoyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[[3-chloro-4-[(2,2-dichlorocyclopropyl)methoxy]phenyl]carbamoyl]-6-fluorobenzamide (CID 23454911) is 2-chloro-N-[[3-chloro-4-[(2,2-dichlorocyclopropyl)methoxy]phenyl]carbamoyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[[3-chloro-4-[(2,2-dichlorocyclopropyl)methoxy]phenyl]carbamoyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[[3-chloro-4-[(2,2-dichlorocyclopropyl)methoxy]phenyl]carbamoyl]-6-fluorobenzamide is O=C(NC(=O)c1c(F)cccc1Cl)Nc1ccc(OCC2CC2(Cl)Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[[3-chloro-4-[(2,2-dichlorocyclopropyl)methoxy]phenyl]carbamoyl]-6-fluorobenzamide?
The InChIKey is MDRRCUVJMOZINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl4FN2O3/c19-11-2-1-3-13(23)15(11)16(26)25-17(27)24-10-4-5-14(12(20)6-10)28-8-9-7-18(9,21)22/h1-6,9H,7-8H2,(H2,24,25,26,27).
What are the key properties of 2-chloro-N-[[3-chloro-4-[(2,2-dichlorocyclopropyl)methoxy]phenyl]carbamoyl]-6-fluorobenzamide?
2-chloro-N-[[3-chloro-4-[(2,2-dichlorocyclopropyl)methoxy]phenyl]carbamoyl]-6-fluorobenzamide has a molecular weight of 466.12 g/mol, XLogP of 5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-chloro-4-[(2,2-dichlorocyclopropyl)methoxy]phenyl]carbamoyl]-6-fluorobenzamide is sourced from PubChem (CID 23454911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).