2-chloro-6-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide

C14H17ClFNO2 — CID 110752428

IUPAC2-chloro-6-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
SMILESCN(CC1CCOCC1)C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C14H17ClFNO2/c1-17(9-10-5-7-19-8-6-10)14(18)13-11(15)3-2-4-12(13)16/h2-4,10H,5-9H2,1H3
InChIKeyABZKHLGADKEKPS-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.98
Rot. Bonds3

About 2-chloro-6-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide

2-chloro-6-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide (PubChem CID 110752428) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
PubChem CID110752428
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name2-chloro-6-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
SMILESCN(CC1CCOCC1)C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C14H17ClFNO2/c1-17(9-10-5-7-19-8-6-10)14(18)13-11(15)3-2-4-12(13)16/h2-4,10H,5-9H2,1H3
InChIKeyABZKHLGADKEKPS-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

4-(2-Chlorobenzoyl)-morpholine
CID 225451
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8-(2-Chloro-4-fluorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 6467102
2-chloro-N-(cyclohexylmethyl)-4-fluorobenzamide
CID 6470536
(2-Chloro-6-fluorophenyl)(4-methyl-1,4-diazepan-1-yl)methanone
CID 17127018
2-chloro-N-cyclohexyl-N-methylbenzamide
CID 306655
Ethyl 1-[(4-chlorophenyl)carbonyl]piperidine-3-carboxylate
CID 2905142
1-(4-Chlorobenzoyl)-3,5-dimethylpiperidine
CID 2843209
Cambridge id 5104170
CID 744426
4-[(2-Chlorophenyl)carbonyl]piperazine-1-carbaldehyde
CID 893064
Ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 1094120
(2,4-Dichlorophenyl)(3,5-dimethylpiperidin-1-yl)methanone
CID 2842878

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide (CID 110752428) is 2-chloro-6-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide is CN(CC1CCOCC1)C(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide?
The InChIKey is ABZKHLGADKEKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c1-17(9-10-5-7-19-8-6-10)14(18)13-11(15)3-2-4-12(13)16/h2-4,10H,5-9H2,1H3.
What are the key properties of 2-chloro-6-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide?
2-chloro-6-fluoro-N-methyl-N-(oxan-4-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 2-chloro-6-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide is sourced from PubChem (CID 110752428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).