2-fluoro-N,3-dimethyl-N-(4-methylpentan-2-yl)benzamide

C15H22FNO — CID 80718791

IUPAC2-fluoro-N,3-dimethyl-N-(4-methylpentan-2-yl)benzamide
SMILESCc1cccc(C(=O)N(C)C(C)CC(C)C)c1F
InChIInChI=1S/C15H22FNO/c1-10(2)9-12(4)17(5)15(18)13-8-6-7-11(3)14(13)16/h6-8,10,12H,9H2,1-5H3
InChIKeyVIRNNYAASGLHGA-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.64
Rot. Bonds4

About 2-fluoro-N,3-dimethyl-N-(4-methylpentan-2-yl)benzamide

2-fluoro-N,3-dimethyl-N-(4-methylpentan-2-yl)benzamide (PubChem CID 80718791) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-fluoro-N,3-dimethyl-N-(4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N,3-dimethyl-N-(4-methylpentan-2-yl)benzamide
PubChem CID80718791
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-fluoro-N,3-dimethyl-N-(4-methylpentan-2-yl)benzamide
SMILESCc1cccc(C(=O)N(C)C(C)CC(C)C)c1F
InChIInChI=1S/C15H22FNO/c1-10(2)9-12(4)17(5)15(18)13-8-6-7-11(3)14(13)16/h6-8,10,12H,9H2,1-5H3
InChIKeyVIRNNYAASGLHGA-UHFFFAOYSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-difluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 55133305
N,N-diethyl-2-fluoro-3-methylbenzamide
CID 80718588
N,2-dimethyl-N-pentan-2-ylbenzamide
CID 71253300
2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide
CID 43430193
3-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115869389
N-(1-bromopropan-2-yl)-N,2,3-trimethylbenzamide
CID 104556144
N-(1-aminopropan-2-yl)-N,2,3-trimethylbenzamide
CID 115737352
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
2-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
CID 115869357
2-bromo-N-(1-bromopropan-2-yl)-N,3-dimethylbenzamide
CID 107984024
N-(1-chloropropan-2-yl)-2-hydroxy-N,3-dimethylbenzamide
CID 104555728

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,3-dimethyl-N-(4-methylpentan-2-yl)benzamide?
The IUPAC name of 2-fluoro-N,3-dimethyl-N-(4-methylpentan-2-yl)benzamide (CID 80718791) is 2-fluoro-N,3-dimethyl-N-(4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-N,3-dimethyl-N-(4-methylpentan-2-yl)benzamide?
The canonical SMILES for 2-fluoro-N,3-dimethyl-N-(4-methylpentan-2-yl)benzamide is Cc1cccc(C(=O)N(C)C(C)CC(C)C)c1F.
What is the InChIKey of 2-fluoro-N,3-dimethyl-N-(4-methylpentan-2-yl)benzamide?
The InChIKey is VIRNNYAASGLHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-10(2)9-12(4)17(5)15(18)13-8-6-7-11(3)14(13)16/h6-8,10,12H,9H2,1-5H3.
What are the key properties of 2-fluoro-N,3-dimethyl-N-(4-methylpentan-2-yl)benzamide?
2-fluoro-N,3-dimethyl-N-(4-methylpentan-2-yl)benzamide has a molecular weight of 251.34 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,3-dimethyl-N-(4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 80718791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).