2,3-difluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide

C14H19F2NO — CID 55133305

IUPAC2,3-difluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)N(C)C(=O)c1cccc(F)c1F
InChIInChI=1S/C14H19F2NO/c1-9(2)8-10(3)17(4)14(18)11-6-5-7-12(15)13(11)16/h5-7,9-10H,8H2,1-4H3
InChIKeyJPEORJUJMBLBIH-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.47
Rot. Bonds4

About 2,3-difluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide

2,3-difluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide (PubChem CID 55133305) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 2,3-difluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide
PubChem CID55133305
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name2,3-difluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)N(C)C(=O)c1cccc(F)c1F
InChIInChI=1S/C14H19F2NO/c1-9(2)8-10(3)17(4)14(18)11-6-5-7-12(15)13(11)16/h5-7,9-10H,8H2,1-4H3
InChIKeyJPEORJUJMBLBIH-UHFFFAOYSA-N
XLogP3.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N,3-dimethyl-N-(4-methylpentan-2-yl)benzamide
CID 80718791
2,3-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 55210661
2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 55110703
2,3-difluoro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79484068
2,3-difluoro-N-methyl-N-propylbenzamide
CID 62649186
2-amino-N-butan-2-yl-3-fluoro-N-methylbenzamide
CID 62650764
3-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide
CID 113426327
N-methyl-N-(4-methylpentan-2-yl)-2-(propylamino)benzamide
CID 62177403
3-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115869389
4-chloro-2-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 54942659
2-amino-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-carboxamide
CID 62058999
N-methyl-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614808

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide?
The IUPAC name of 2,3-difluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide (CID 55133305) is 2,3-difluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 2,3-difluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide?
The canonical SMILES for 2,3-difluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide is CC(C)CC(C)N(C)C(=O)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide?
The InChIKey is JPEORJUJMBLBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-9(2)8-10(3)17(4)14(18)11-6-5-7-12(15)13(11)16/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 2,3-difluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide?
2,3-difluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide has a molecular weight of 255.31 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 55133305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).