[6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]carbamic acid

C20H15Cl2FN2O3 — CID 68938632

IUPAC[6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]carbamic acid
SMILESO=C(O)Nc1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1
InChIInChI=1S/C20H15Cl2FN2O3/c21-14-6-7-18(28-11-12-4-5-15(22)10-17(12)23)13(8-14)9-16-2-1-3-19(24-16)25-20(26)27/h1-8,10H,9,11H2,(H,24,25)(H,26,27)
InChIKeyFDVNSNXUXSYEOC-UHFFFAOYSA-N
MW421.26 g/mol
LogP5.79
Rot. Bonds6

About [6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]carbamic acid

[6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]carbamic acid (PubChem CID 68938632) has the molecular formula C20H15Cl2FN2O3 and a molecular weight of 421.26 g/mol. Its IUPAC name is [6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]carbamic acid
PubChem CID68938632
Molecular FormulaC20H15Cl2FN2O3
Molecular Weight421.26 g/mol
Exact Mass420.04
IUPAC Name[6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]carbamic acid
SMILESO=C(O)Nc1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1
InChIInChI=1S/C20H15Cl2FN2O3/c21-14-6-7-18(28-11-12-4-5-15(22)10-17(12)23)13(8-14)9-16-2-1-3-19(24-16)25-20(26)27/h1-8,10H,9,11H2,(H,24,25)(H,26,27)
InChIKeyFDVNSNXUXSYEOC-UHFFFAOYSA-N
XLogP5.79
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.26
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]carbamic acid?
The IUPAC name of [6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]carbamic acid (CID 68938632) is [6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]carbamic acid.
What is the SMILES notation for [6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]carbamic acid?
The canonical SMILES for [6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]carbamic acid is O=C(O)Nc1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1.
What is the InChIKey of [6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]carbamic acid?
The InChIKey is FDVNSNXUXSYEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2FN2O3/c21-14-6-7-18(28-11-12-4-5-15(22)10-17(12)23)13(8-14)9-16-2-1-3-19(24-16)25-20(26)27/h1-8,10H,9,11H2,(H,24,25)(H,26,27).
What are the key properties of [6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]carbamic acid?
[6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]carbamic acid has a molecular weight of 421.26 g/mol, XLogP of 5.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2-pyridinyl]carbamic acid is sourced from PubChem (CID 68938632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).