2-chloro-6-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide

C19H19ClFNO2 — CID 27448799

IUPAC2-chloro-6-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)c1c(F)cccc1Cl
InChIInChI=1S/C19H19ClFNO2/c20-15-7-4-8-16(21)17(15)18(23)22-13-19(9-11-24-12-10-19)14-5-2-1-3-6-14/h1-8H,9-13H2,(H,22,23)
InChIKeySHTICIGZWLBBIZ-UHFFFAOYSA-N
MW347.82 g/mol
LogP3.96
Rot. Bonds4

About 2-chloro-6-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide

2-chloro-6-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide (PubChem CID 27448799) has the molecular formula C19H19ClFNO2 and a molecular weight of 347.82 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide
PubChem CID27448799
Molecular FormulaC19H19ClFNO2
Molecular Weight347.82 g/mol
Exact Mass347.11
IUPAC Name2-chloro-6-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)c1c(F)cccc1Cl
InChIInChI=1S/C19H19ClFNO2/c20-15-7-4-8-16(21)17(15)18(23)22-13-19(9-11-24-12-10-19)14-5-2-1-3-6-14/h1-8H,9-13H2,(H,22,23)
InChIKeySHTICIGZWLBBIZ-UHFFFAOYSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide (CID 27448799) is 2-chloro-6-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide is O=C(NCC1(c2ccccc2)CCOCC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The InChIKey is SHTICIGZWLBBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO2/c20-15-7-4-8-16(21)17(15)18(23)22-13-19(9-11-24-12-10-19)14-5-2-1-3-6-14/h1-8H,9-13H2,(H,22,23).
What are the key properties of 2-chloro-6-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide?
2-chloro-6-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide has a molecular weight of 347.82 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide is sourced from PubChem (CID 27448799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).