N-(2-amino-4,4-dimethylpentyl)-2-fluoro-3-methylbenzamide

C15H23FN2O — CID 107158406

IUPACN-(2-amino-4,4-dimethylpentyl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(N)CC(C)(C)C)c1F
InChIInChI=1S/C15H23FN2O/c1-10-6-5-7-12(13(10)16)14(19)18-9-11(17)8-15(2,3)4/h5-7,11H,8-9,17H2,1-4H3,(H,18,19)
InChIKeyOELIFNNRYGCXFF-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.63
Rot. Bonds4

About N-(2-amino-4,4-dimethylpentyl)-2-fluoro-3-methylbenzamide

N-(2-amino-4,4-dimethylpentyl)-2-fluoro-3-methylbenzamide (PubChem CID 107158406) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-(2-amino-4,4-dimethylpentyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-4,4-dimethylpentyl)-2-fluoro-3-methylbenzamide
PubChem CID107158406
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-(2-amino-4,4-dimethylpentyl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(N)CC(C)(C)C)c1F
InChIInChI=1S/C15H23FN2O/c1-10-6-5-7-12(13(10)16)14(19)18-9-11(17)8-15(2,3)4/h5-7,11H,8-9,17H2,1-4H3,(H,18,19)
InChIKeyOELIFNNRYGCXFF-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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-(2-amino-4,4-dimethylpentyl)-2-fluoro-5-methylbenzamide
CID 107158423
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512650
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 119527349
N-(2-amino-4,4-dimethylpentyl)-2-hydroxy-4-methylbenzamide
CID 107158602
N-(2,2-dicyclopropylethyl)-2-fluoro-3-methylbenzamide
CID 80712461
2-fluoro-3-methyl-N-prop-2-ynylbenzamide
CID 80717864
N-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 103461119
2-bromo-N-(2-bromo-4,4-dimethylpentyl)-3-methylbenzamide
CID 107984077
5-[(2-fluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 82682663
N-(4-chloro-2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 114149338
[(2R)-2-amino-4,4-dimethylpentyl]carbamic acid
CID 87077916
2-fluoro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112699377

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,4-dimethylpentyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of N-(2-amino-4,4-dimethylpentyl)-2-fluoro-3-methylbenzamide (CID 107158406) is N-(2-amino-4,4-dimethylpentyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(2-amino-4,4-dimethylpentyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-(2-amino-4,4-dimethylpentyl)-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)NCC(N)CC(C)(C)C)c1F.
What is the InChIKey of N-(2-amino-4,4-dimethylpentyl)-2-fluoro-3-methylbenzamide?
The InChIKey is OELIFNNRYGCXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-10-6-5-7-12(13(10)16)14(19)18-9-11(17)8-15(2,3)4/h5-7,11H,8-9,17H2,1-4H3,(H,18,19).
What are the key properties of N-(2-amino-4,4-dimethylpentyl)-2-fluoro-3-methylbenzamide?
N-(2-amino-4,4-dimethylpentyl)-2-fluoro-3-methylbenzamide has a molecular weight of 266.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,4-dimethylpentyl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 107158406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).