2,3-difluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide

C13H17F2NO2 — CID 80710110

IUPAC2,3-difluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
SMILESCC(C)OCCN(C)C(=O)c1cccc(F)c1F
InChIInChI=1S/C13H17F2NO2/c1-9(2)18-8-7-16(3)13(17)10-5-4-6-11(14)12(10)15/h4-6,9H,7-8H2,1-3H3
InChIKeyZGLIQIKMFCLQCX-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.46
Rot. Bonds5

About 2,3-difluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide

2,3-difluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide (PubChem CID 80710110) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 2,3-difluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
PubChem CID80710110
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name2,3-difluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
SMILESCC(C)OCCN(C)C(=O)c1cccc(F)c1F
InChIInChI=1S/C13H17F2NO2/c1-9(2)18-8-7-16(3)13(17)10-5-4-6-11(14)12(10)15/h4-6,9H,7-8H2,1-3H3
InChIKeyZGLIQIKMFCLQCX-UHFFFAOYSA-N
XLogP2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-N-methyl-N-propylbenzamide
CID 62649186
2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 55110703
2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide
CID 62662327
3-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80710198
N-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide
CID 63694509
N-(2-bromo-3-methoxypropyl)-2,3-difluoro-N-methylbenzamide
CID 80671246
2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide
CID 62661170
2-amino-3-fluoro-N-(2-methoxyethyl)-N-methylbenzamide
CID 62661076
2,3-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 55210661
2,3-difluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 55133305
4-(3-aminoprop-1-ynyl)-2-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 81044725
5-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80709255

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide?
The IUPAC name of 2,3-difluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide (CID 80710110) is 2,3-difluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide.
What is the SMILES notation for 2,3-difluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide?
The canonical SMILES for 2,3-difluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide is CC(C)OCCN(C)C(=O)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide?
The InChIKey is ZGLIQIKMFCLQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-9(2)18-8-7-16(3)13(17)10-5-4-6-11(14)12(10)15/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 2,3-difluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide?
2,3-difluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide has a molecular weight of 257.28 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide is sourced from PubChem (CID 80710110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).