2,3-difluoro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide

C16H23F2NO — CID 79484068

IUPAC2,3-difluoro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CC(C)C)C(=O)c1cccc(F)c1F
InChIInChI=1S/C16H23F2NO/c1-5-12(6-2)19(10-11(3)4)16(20)13-8-7-9-14(17)15(13)18/h7-9,11-12H,5-6,10H2,1-4H3
InChIKeyRVLVWKXYFHIHBK-UHFFFAOYSA-N
MW283.36 g/mol
LogP4.25
Rot. Bonds6

About 2,3-difluoro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide

2,3-difluoro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide (PubChem CID 79484068) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is 2,3-difluoro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name2,3-difluoro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
PubChem CID79484068
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name2,3-difluoro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CC(C)C)C(=O)c1cccc(F)c1F
InChIInChI=1S/C16H23F2NO/c1-5-12(6-2)19(10-11(3)4)16(20)13-8-7-9-14(17)15(13)18/h7-9,11-12H,5-6,10H2,1-4H3
InChIKeyRVLVWKXYFHIHBK-UHFFFAOYSA-N
XLogP4.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-aminoethyl)-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79490268
2,3-difluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 55133305
2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 55110703
2-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79501523
2-(ethylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79487895
2-[2-methylpropyl(pentan-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 79490710
N-(2-chloroethyl)-2-fluoro-N-pentan-3-ylbenzamide
CID 55185541
N-ethyl-3-fluoro-2-(methylamino)-N-(2-methylpropyl)benzamide
CID 62648944
2,3-difluoro-N-methyl-N-propylbenzamide
CID 62649186
2,3-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 55210661
1-(2,3-difluorophenyl)-3-ethylpentan-1-one
CID 115795198
4-iodo-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79490314

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide?
The IUPAC name of 2,3-difluoro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide (CID 79484068) is 2,3-difluoro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide.
What is the SMILES notation for 2,3-difluoro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide?
The canonical SMILES for 2,3-difluoro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide is CCC(CC)N(CC(C)C)C(=O)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide?
The InChIKey is RVLVWKXYFHIHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-5-12(6-2)19(10-11(3)4)16(20)13-8-7-9-14(17)15(13)18/h7-9,11-12H,5-6,10H2,1-4H3.
What are the key properties of 2,3-difluoro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide?
2,3-difluoro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide has a molecular weight of 283.36 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide is sourced from PubChem (CID 79484068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).