N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide;hydrochloride

C19H14Cl2F2N2O2 — CID 73052207

IUPACN-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide;hydrochloride
SMILESCOc1ncc(Cl)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1.Cl
InChIInChI=1S/C19H13ClF2N2O2.ClH/c1-26-19-14(9-12(20)10-23-19)11-5-7-13(8-6-11)24-18(25)17-15(21)3-2-4-16(17)22;/h2-10H,1H3,(H,24,25);1H
InChIKeyFPRMTCMLDBTHHU-UHFFFAOYSA-N
MW411.24 g/mol
LogP5.36
Rot. Bonds4

About N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide;hydrochloride

N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide;hydrochloride (PubChem CID 73052207) has the molecular formula C19H14Cl2F2N2O2 and a molecular weight of 411.24 g/mol. Its IUPAC name is N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide;hydrochloride
PubChem CID73052207
Molecular FormulaC19H14Cl2F2N2O2
Molecular Weight411.24 g/mol
Exact Mass410.04
IUPAC NameN-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide;hydrochloride
SMILESCOc1ncc(Cl)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1.Cl
InChIInChI=1S/C19H13ClF2N2O2.ClH/c1-26-19-14(9-12(20)10-23-19)11-5-7-13(8-6-11)24-18(25)17-15(21)3-2-4-16(17)22;/h2-10H,1H3,(H,24,25);1H
InChIKeyFPRMTCMLDBTHHU-UHFFFAOYSA-N
XLogP5.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.24
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide;hydrochloride?
The IUPAC name of N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide;hydrochloride (CID 73052207) is N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide;hydrochloride.
What is the SMILES notation for N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide;hydrochloride?
The canonical SMILES for N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide;hydrochloride is COc1ncc(Cl)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1.Cl.
What is the InChIKey of N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide;hydrochloride?
The InChIKey is FPRMTCMLDBTHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N2O2.ClH/c1-26-19-14(9-12(20)10-23-19)11-5-7-13(8-6-11)24-18(25)17-15(21)3-2-4-16(17)22;/h2-10H,1H3,(H,24,25);1H.
What are the key properties of N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide;hydrochloride?
N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide;hydrochloride has a molecular weight of 411.24 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide;hydrochloride is sourced from PubChem (CID 73052207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).