2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide

C19H19Cl2NO2 — CID 27448808

IUPAC2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H19Cl2NO2/c20-15-6-7-17(21)16(12-15)18(23)22-13-19(8-10-24-11-9-19)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,22,23)
InChIKeyGKULGURSTZMWPH-UHFFFAOYSA-N
MW364.27 g/mol
LogP4.47
Rot. Bonds4

About 2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide

2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide (PubChem CID 27448808) has the molecular formula C19H19Cl2NO2 and a molecular weight of 364.27 g/mol. Its IUPAC name is 2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
PubChem CID27448808
Molecular FormulaC19H19Cl2NO2
Molecular Weight364.27 g/mol
Exact Mass363.08
IUPAC Name2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H19Cl2NO2/c20-15-6-7-17(21)16(12-15)18(23)22-13-19(8-10-24-11-9-19)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,22,23)
InChIKeyGKULGURSTZMWPH-UHFFFAOYSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 1082222
2,5-dichloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943783
5-bromo-2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide
CID 27449067
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 71989539
2,5-dichloro-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide
CID 72716994
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-5-chloro-2-fluorobenzamide
CID 55865048
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449030
2-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 1340930
5-amino-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 120623335
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-2,4-dichloro-5-fluorobenzamide
CID 60524831
2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848688
2-chloro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 847347

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide (CID 27448808) is 2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide is O=C(NCC1(c2ccccc2)CCOCC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The InChIKey is GKULGURSTZMWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO2/c20-15-6-7-17(21)16(12-15)18(23)22-13-19(8-10-24-11-9-19)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,22,23).
What are the key properties of 2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide?
2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide has a molecular weight of 364.27 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide is sourced from PubChem (CID 27448808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).