5-chloro-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)benzamide

C14H17ClFNO2 — CID 63713162

IUPAC5-chloro-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)benzamide
SMILESCN(CC1CCCOC1)C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C14H17ClFNO2/c1-17(8-10-3-2-6-19-9-10)14(18)12-7-11(15)4-5-13(12)16/h4-5,7,10H,2-3,6,8-9H2,1H3
InChIKeyVAEHXWCBPCCQDR-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.98
Rot. Bonds3

About 5-chloro-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)benzamide

5-chloro-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)benzamide (PubChem CID 63713162) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)benzamide
PubChem CID63713162
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name5-chloro-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)benzamide
SMILESCN(CC1CCCOC1)C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C14H17ClFNO2/c1-17(8-10-3-2-6-19-9-10)14(18)12-7-11(15)4-5-13(12)16/h4-5,7,10H,2-3,6,8-9H2,1H3
InChIKeyVAEHXWCBPCCQDR-UHFFFAOYSA-N
XLogP2.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 113257549
3-bromo-5-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 103826926
3-chloro-4-hydroxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63706362
2-amino-3-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
CID 105386353
2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride
CID 119945322
2-hydroxy-5-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63706198
4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 75370788
6-chloro-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 63711414
1-(2,4-dichlorophenyl)-2-[methyl(oxan-3-ylmethyl)amino]propan-1-one
CID 63713469
N-methyl-N-(oxan-3-ylmethyl)-4-sulfanylbenzamide
CID 107030003
3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 55225636
5-iodo-N-methyl-N-(oxan-3-ylmethyl)thiophene-3-carboxamide
CID 78950078

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)benzamide (CID 63713162) is 5-chloro-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)benzamide is CN(CC1CCCOC1)C(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)benzamide?
The InChIKey is VAEHXWCBPCCQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c1-17(8-10-3-2-6-19-9-10)14(18)12-7-11(15)4-5-13(12)16/h4-5,7,10H,2-3,6,8-9H2,1H3.
What are the key properties of 5-chloro-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)benzamide?
5-chloro-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)benzamide has a molecular weight of 285.75 g/mol, XLogP of 2.98, 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-(oxan-3-ylmethyl)benzamide is sourced from PubChem (CID 63713162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).