2-chloro-6-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide

C13H16ClNO2 — CID 86284423

IUPAC2-chloro-6-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
SMILESCc1cccc(Cl)c1C(=O)NCC1(C)COC1
InChIInChI=1S/C13H16ClNO2/c1-9-4-3-5-10(14)11(9)12(16)15-6-13(2)7-17-8-13/h3-5H,6-8H2,1-2H3,(H,15,16)
InChIKeyWEFGTMSAGHCYLS-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.41
Rot. Bonds3

About 2-chloro-6-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide

2-chloro-6-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide (PubChem CID 86284423) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
PubChem CID86284423
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-chloro-6-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
SMILESCc1cccc(Cl)c1C(=O)NCC1(C)COC1
InChIInChI=1S/C13H16ClNO2/c1-9-4-3-5-10(14)11(9)12(16)15-6-13(2)7-17-8-13/h3-5H,6-8H2,1-2H3,(H,15,16)
InChIKeyWEFGTMSAGHCYLS-UHFFFAOYSA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 80710754
3-bromo-2-chloro-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 113362552
3-bromo-2-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 79035684
4,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 78957550
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103849383
2-amino-6-methyl-N-[(1-methylcyclopentyl)methyl]benzamide
CID 63822358
3,5-dichloro-4-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 78957615
2,6-dichloro-N-[[5-[(2,6-dichlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
CID 4676998
2-bromo-4-chloro-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 113257527
N-[(3-methyloxetan-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558787
2-chloro-6-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
CID 91841478
N-[(3-methyloxetan-3-yl)methyl]pyridine-3-carboxamide
CID 78956674

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The IUPAC name of 2-chloro-6-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide (CID 86284423) is 2-chloro-6-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-6-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-6-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide is Cc1cccc(Cl)c1C(=O)NCC1(C)COC1.
What is the InChIKey of 2-chloro-6-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The InChIKey is WEFGTMSAGHCYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-9-4-3-5-10(14)11(9)12(16)15-6-13(2)7-17-8-13/h3-5H,6-8H2,1-2H3,(H,15,16).
What are the key properties of 2-chloro-6-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide?
2-chloro-6-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide has a molecular weight of 253.73 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide is sourced from PubChem (CID 86284423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).