N-(5-amino-2,2-dimethylpentyl)-4-fluoro-2-methylbenzamide

C15H23FN2O — CID 106140917

IUPACN-(5-amino-2,2-dimethylpentyl)-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)NCC(C)(C)CCCN
InChIInChI=1S/C15H23FN2O/c1-11-9-12(16)5-6-13(11)14(19)18-10-15(2,3)7-4-8-17/h5-6,9H,4,7-8,10,17H2,1-3H3,(H,18,19)
InChIKeyHOYGSJCMULCJEL-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.63
Rot. Bonds6

About N-(5-amino-2,2-dimethylpentyl)-4-fluoro-2-methylbenzamide

N-(5-amino-2,2-dimethylpentyl)-4-fluoro-2-methylbenzamide (PubChem CID 106140917) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-(5-amino-2,2-dimethylpentyl)-4-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(5-amino-2,2-dimethylpentyl)-4-fluoro-2-methylbenzamide
PubChem CID106140917
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-(5-amino-2,2-dimethylpentyl)-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)NCC(C)(C)CCCN
InChIInChI=1S/C15H23FN2O/c1-11-9-12(16)5-6-13(11)14(19)18-10-15(2,3)7-4-8-17/h5-6,9H,4,7-8,10,17H2,1-3H3,(H,18,19)
InChIKeyHOYGSJCMULCJEL-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-2,2-dimethylbutyl)-2,5-difluorobenzamide
CID 106139692
N-(5-amino-2,2-dimethylpentyl)-2-fluoro-4-hydroxybenzamide
CID 106141044
4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 103899859
N-(5-amino-2,2-dimethylpentyl)-2-(2,4-difluorophenyl)acetamide
CID 106140618
N-(5-chloro-2,2-dimethylpentyl)-2,5-difluorobenzamide
CID 106144423
4-fluoro-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528310
2-bromo-N-(5-bromo-2,2-dimethylpentyl)-5-fluorobenzamide
CID 114149717
4-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-methylbenzamide
CID 106144494
N-(4-amino-4-oxobutyl)-4-fluoro-2-methylbenzamide
CID 112702489
N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxybenzamide
CID 115365585
2-bromo-4-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772342
2-bromo-5-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 113258866

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,2-dimethylpentyl)-4-fluoro-2-methylbenzamide?
The IUPAC name of N-(5-amino-2,2-dimethylpentyl)-4-fluoro-2-methylbenzamide (CID 106140917) is N-(5-amino-2,2-dimethylpentyl)-4-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(5-amino-2,2-dimethylpentyl)-4-fluoro-2-methylbenzamide?
The canonical SMILES for N-(5-amino-2,2-dimethylpentyl)-4-fluoro-2-methylbenzamide is Cc1cc(F)ccc1C(=O)NCC(C)(C)CCCN.
What is the InChIKey of N-(5-amino-2,2-dimethylpentyl)-4-fluoro-2-methylbenzamide?
The InChIKey is HOYGSJCMULCJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11-9-12(16)5-6-13(11)14(19)18-10-15(2,3)7-4-8-17/h5-6,9H,4,7-8,10,17H2,1-3H3,(H,18,19).
What are the key properties of N-(5-amino-2,2-dimethylpentyl)-4-fluoro-2-methylbenzamide?
N-(5-amino-2,2-dimethylpentyl)-4-fluoro-2-methylbenzamide has a molecular weight of 266.36 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,2-dimethylpentyl)-4-fluoro-2-methylbenzamide is sourced from PubChem (CID 106140917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).