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

C13H16ClNO3 — CID 78957154

IUPAC5-chloro-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC1(C)COC1
InChIInChI=1S/C13H16ClNO3/c1-13(7-18-8-13)6-15-12(16)10-5-9(14)3-4-11(10)17-2/h3-5H,6-8H2,1-2H3,(H,15,16)
InChIKeyLYNGEDBUSLOSDG-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.11
Rot. Bonds4

About 5-chloro-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide

5-chloro-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide (PubChem CID 78957154) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide
PubChem CID78957154
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name5-chloro-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC1(C)COC1
InChIInChI=1S/C13H16ClNO3/c1-13(7-18-8-13)6-15-12(16)10-5-9(14)3-4-11(10)17-2/h3-5H,6-8H2,1-2H3,(H,15,16)
InChIKeyLYNGEDBUSLOSDG-UHFFFAOYSA-N
XLogP2.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-iodo-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 78957032
2-bromo-4-chloro-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 113257527
5-chloro-N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]-2-methoxybenzamide
CID 146080294
2-[1-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81165285
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
5-chloro-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-methoxybenzamide
CID 95984859
5-chloro-N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxybenzamide
CID 84580312
3,5-dichloro-4-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 78957615
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 108540873
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide (CID 78957154) is 5-chloro-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide is COc1ccc(Cl)cc1C(=O)NCC1(C)COC1.
What is the InChIKey of 5-chloro-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The InChIKey is LYNGEDBUSLOSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-13(7-18-8-13)6-15-12(16)10-5-9(14)3-4-11(10)17-2/h3-5H,6-8H2,1-2H3,(H,15,16).
What are the key properties of 5-chloro-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide?
5-chloro-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide has a molecular weight of 269.73 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide is sourced from PubChem (CID 78957154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).