2-chloro-6-fluoro-N-[2-(5-methyl-4H-1,3-oxazin-6-yl)-2-(1,4-oxazepan-4-yl)ethyl]benzamide

C19H23ClFN3O3 — CID 134404939

IUPAC2-chloro-6-fluoro-N-[2-(5-methyl-4H-1,3-oxazin-6-yl)-2-(1,4-oxazepan-4-yl)ethyl]benzamide
SMILESCC1=C(C(CNC(=O)c2c(F)cccc2Cl)N2CCCOCC2)OC=NC1
InChIInChI=1S/C19H23ClFN3O3/c1-13-10-22-12-27-18(13)16(24-6-3-8-26-9-7-24)11-23-19(25)17-14(20)4-2-5-15(17)21/h2,4-5,12,16H,3,6-11H2,1H3,(H,23,25)
InChIKeyBDIBMGFVOVONLS-UHFFFAOYSA-N
MW395.86 g/mol
LogP2.63
Rot. Bonds5

About 2-chloro-6-fluoro-N-[2-(5-methyl-4H-1,3-oxazin-6-yl)-2-(1,4-oxazepan-4-yl)ethyl]benzamide

2-chloro-6-fluoro-N-[2-(5-methyl-4H-1,3-oxazin-6-yl)-2-(1,4-oxazepan-4-yl)ethyl]benzamide (PubChem CID 134404939) has the molecular formula C19H23ClFN3O3 and a molecular weight of 395.86 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(5-methyl-4H-1,3-oxazin-6-yl)-2-(1,4-oxazepan-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(5-methyl-4H-1,3-oxazin-6-yl)-2-(1,4-oxazepan-4-yl)ethyl]benzamide
PubChem CID134404939
Molecular FormulaC19H23ClFN3O3
Molecular Weight395.86 g/mol
Exact Mass395.14
IUPAC Name2-chloro-6-fluoro-N-[2-(5-methyl-4H-1,3-oxazin-6-yl)-2-(1,4-oxazepan-4-yl)ethyl]benzamide
SMILESCC1=C(C(CNC(=O)c2c(F)cccc2Cl)N2CCCOCC2)OC=NC1
InChIInChI=1S/C19H23ClFN3O3/c1-13-10-22-12-27-18(13)16(24-6-3-8-26-9-7-24)11-23-19(25)17-14(20)4-2-5-15(17)21/h2,4-5,12,16H,3,6-11H2,1H3,(H,23,25)
InChIKeyBDIBMGFVOVONLS-UHFFFAOYSA-N
XLogP2.63
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.86
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-fluoro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 112506509
2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-6-fluorobenzamide
CID 55714599
2,6-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide
CID 16931663
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1,2-oxazole-4-carboxamide
CID 34986876
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2,6-difluorobenzamide
CID 7496717
2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51931088
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,2-oxazole-4-carboxamide
CID 42940218
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 55674795
2-chloro-6-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]benzamide
CID 124759832
2-fluoro-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460592
2,3-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18168875
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2,6-difluorobenzamide
CID 7285631

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(5-methyl-4H-1,3-oxazin-6-yl)-2-(1,4-oxazepan-4-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(5-methyl-4H-1,3-oxazin-6-yl)-2-(1,4-oxazepan-4-yl)ethyl]benzamide (CID 134404939) is 2-chloro-6-fluoro-N-[2-(5-methyl-4H-1,3-oxazin-6-yl)-2-(1,4-oxazepan-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(5-methyl-4H-1,3-oxazin-6-yl)-2-(1,4-oxazepan-4-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(5-methyl-4H-1,3-oxazin-6-yl)-2-(1,4-oxazepan-4-yl)ethyl]benzamide is CC1=C(C(CNC(=O)c2c(F)cccc2Cl)N2CCCOCC2)OC=NC1.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(5-methyl-4H-1,3-oxazin-6-yl)-2-(1,4-oxazepan-4-yl)ethyl]benzamide?
The InChIKey is BDIBMGFVOVONLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClFN3O3/c1-13-10-22-12-27-18(13)16(24-6-3-8-26-9-7-24)11-23-19(25)17-14(20)4-2-5-15(17)21/h2,4-5,12,16H,3,6-11H2,1H3,(H,23,25).
What are the key properties of 2-chloro-6-fluoro-N-[2-(5-methyl-4H-1,3-oxazin-6-yl)-2-(1,4-oxazepan-4-yl)ethyl]benzamide?
2-chloro-6-fluoro-N-[2-(5-methyl-4H-1,3-oxazin-6-yl)-2-(1,4-oxazepan-4-yl)ethyl]benzamide has a molecular weight of 395.86 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-(5-methyl-4H-1,3-oxazin-6-yl)-2-(1,4-oxazepan-4-yl)ethyl]benzamide is sourced from PubChem (CID 134404939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).