N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-fluoro-3-methylbenzamide

C15H23FN2O — CID 55163659

IUPACN-[1-(dimethylamino)-3-methylbutan-2-yl]-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NC(CN(C)C)C(C)C)ccc1F
InChIInChI=1S/C15H23FN2O/c1-10(2)14(9-18(4)5)17-15(19)12-6-7-13(16)11(3)8-12/h6-8,10,14H,9H2,1-5H3,(H,17,19)
InChIKeyPSOZKJDZIAZLNS-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.45
Rot. Bonds5

About N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-fluoro-3-methylbenzamide

N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-fluoro-3-methylbenzamide (PubChem CID 55163659) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-4-fluoro-3-methylbenzamide
PubChem CID55163659
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NC(CN(C)C)C(C)C)ccc1F
InChIInChI=1S/C15H23FN2O/c1-10(2)14(9-18(4)5)17-15(19)12-6-7-13(16)11(3)8-12/h6-8,10,14H,9H2,1-5H3,(H,17,19)
InChIKeyPSOZKJDZIAZLNS-UHFFFAOYSA-N
XLogP2.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-fluoro-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxy-3-methylbenzamide
CID 103957072
N-(1-amino-4-methylpentan-3-yl)-4-fluoro-3-methylbenzamide
CID 106356719
2-[(4-fluoro-3-methylbenzoyl)amino]-3-methylbutanoic acid
CID 63210063
3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-fluoro-4-methylbenzamide
CID 61476608
N-(3,3-dimethylbutan-2-yl)-4-fluoro-3-methylbenzamide
CID 115622752
N-(4-bromobutan-2-yl)-4-fluoro-3-methylbenzamide
CID 83178455
N-(4-amino-4-oxobutan-2-yl)-4-fluoro-3-methylbenzamide
CID 115649751
4-fluoro-3-methyl-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 113461612
N-(1-chloro-3-methylbutan-2-yl)-3-fluoro-4-methylbenzamide
CID 114305513
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-4-carboxamide
CID 55041620
4-fluoro-3-methyl-N-(3-methylbutyl)benzamide
CID 63212522
3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
CID 82945495

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-fluoro-3-methylbenzamide?
The IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-fluoro-3-methylbenzamide (CID 55163659) is N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)NC(CN(C)C)C(C)C)ccc1F.
What is the InChIKey of N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-fluoro-3-methylbenzamide?
The InChIKey is PSOZKJDZIAZLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-10(2)14(9-18(4)5)17-15(19)12-6-7-13(16)11(3)8-12/h6-8,10,14H,9H2,1-5H3,(H,17,19).
What are the key properties of N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-fluoro-3-methylbenzamide?
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-fluoro-3-methylbenzamide has a molecular weight of 266.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 55163659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).