5-chloro-2-fluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzamide

C15H19ClFNO2 — CID 110875712

IUPAC5-chloro-2-fluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzamide
SMILESCN(CC1(C)CCOCC1)C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C15H19ClFNO2/c1-15(5-7-20-8-6-15)10-18(2)14(19)12-9-11(16)3-4-13(12)17/h3-4,9H,5-8,10H2,1-2H3
InChIKeyVNBZWMKZNZUOIE-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.37
Rot. Bonds3

About 5-chloro-2-fluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzamide

5-chloro-2-fluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzamide (PubChem CID 110875712) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzamide
PubChem CID110875712
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Name5-chloro-2-fluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzamide
SMILESCN(CC1(C)CCOCC1)C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C15H19ClFNO2/c1-15(5-7-20-8-6-15)10-18(2)14(19)12-9-11(16)3-4-13(12)17/h3-4,9H,5-8,10H2,1-2H3
InChIKeyVNBZWMKZNZUOIE-UHFFFAOYSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114949575
2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114951274
3-chloro-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114951301
N-methyl-N-[(4-methyloxan-4-yl)methyl]furan-3-carboxamide
CID 110875705
5-chloro-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63713162
3-[(3-fluorophenyl)methyl]-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea
CID 71686940
5-chloro-2-fluoro-N-methyl-N-(3-oxobutyl)benzamide
CID 117044877
2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 114946703
2-chloro-5-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 106502232
N-(2-aminopropyl)-5-chloro-2-fluoro-N-methylbenzamide
CID 117044863
5-chloro-2-fluoro-N-(3-methyloxolan-3-yl)benzamide
CID 115769264
N-[(3-chlorophenyl)methyl]-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 26893076

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzamide (CID 110875712) is 5-chloro-2-fluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzamide is CN(CC1(C)CCOCC1)C(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzamide?
The InChIKey is VNBZWMKZNZUOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c1-15(5-7-20-8-6-15)10-18(2)14(19)12-9-11(16)3-4-13(12)17/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 5-chloro-2-fluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzamide?
5-chloro-2-fluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzamide has a molecular weight of 299.77 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzamide is sourced from PubChem (CID 110875712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).