N-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide

C16H25FN2O — CID 103464511

IUPACN-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide
SMILESCCCNc1c(F)cccc1C(=O)NCC(C)(C)CC
InChIInChI=1S/C16H25FN2O/c1-5-10-18-14-12(8-7-9-13(14)17)15(20)19-11-16(3,4)6-2/h7-9,18H,5-6,10-11H2,1-4H3,(H,19,20)
InChIKeyBYKGKZMBKPTPLH-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.81
Rot. Bonds7

About N-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide

N-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide (PubChem CID 103464511) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide
PubChem CID103464511
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide
SMILESCCCNc1c(F)cccc1C(=O)NCC(C)(C)CC
InChIInChI=1S/C16H25FN2O/c1-5-10-18-14-12(8-7-9-13(14)17)15(20)19-11-16(3,4)6-2/h7-9,18H,5-6,10-11H2,1-4H3,(H,19,20)
InChIKeyBYKGKZMBKPTPLH-UHFFFAOYSA-N
XLogP3.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide
CID 83115693
3-fluoro-N-[2-(methanesulfonamido)ethyl]-2-(propylamino)benzamide
CID 62662394
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(ethylamino)-3-fluorobenzamide
CID 62650035
N-[2-(dimethylamino)propyl]-3-fluoro-2-(propylamino)benzamide
CID 62660881
2-(ethylamino)-3-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 55100188
N-(4-chlorophenyl)-3-fluoro-2-(propylamino)benzamide
CID 63501108
N-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 103461119
3-fluoro-2-(propylamino)-N-(pyridin-4-ylmethyl)benzamide
CID 62649386
N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62648907
N-cyclobutyl-3-fluoro-2-(propylamino)benzamide
CID 62662485
3-fluoro-N-(1-methylcyclohexyl)-2-(propylamino)benzamide
CID 63499533
3-fluoro-2-(propylamino)-N-pyridin-4-ylbenzamide
CID 62650270

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide?
The IUPAC name of N-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide (CID 103464511) is N-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide is CCCNc1c(F)cccc1C(=O)NCC(C)(C)CC.
What is the InChIKey of N-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide?
The InChIKey is BYKGKZMBKPTPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-5-10-18-14-12(8-7-9-13(14)17)15(20)19-11-16(3,4)6-2/h7-9,18H,5-6,10-11H2,1-4H3,(H,19,20).
What are the key properties of N-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide?
N-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide has a molecular weight of 280.39 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide is sourced from PubChem (CID 103464511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).