N-[2-[di(propan-2-yl)amino]ethyl]-5-fluoro-2-methoxybenzamide

C16H25FN2O2 — CID 34819371

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C16H25FN2O2/c1-11(2)19(12(3)4)9-8-18-16(20)14-10-13(17)6-7-15(14)21-5/h6-7,10-12H,8-9H2,1-5H3,(H,18,20)
InChIKeyKBMDXLMTFVCFOJ-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.68
Rot. Bonds7

About N-[2-[di(propan-2-yl)amino]ethyl]-5-fluoro-2-methoxybenzamide

N-[2-[di(propan-2-yl)amino]ethyl]-5-fluoro-2-methoxybenzamide (PubChem CID 34819371) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-5-fluoro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-5-fluoro-2-methoxybenzamide
PubChem CID34819371
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C16H25FN2O2/c1-11(2)19(12(3)4)9-8-18-16(20)14-10-13(17)6-7-15(14)21-5/h6-7,10-12H,8-9H2,1-5H3,(H,18,20)
InChIKeyKBMDXLMTFVCFOJ-UHFFFAOYSA-N
XLogP2.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide
CID 119385341
2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzamide
CID 18160843
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31069458
N-[2-[di(propan-2-yl)amino]ethyl]-4-methoxynaphthalene-1-carboxamide
CID 18160783
5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31064262
5-fluoro-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31116362
5-fluoro-2-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 31116235
2-(5-chloro-2-methoxyphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 39467305
5-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-2-fluorobenzamide
CID 60706871
5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methoxybenzamide
CID 110888727
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
CID 110761060

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-5-fluoro-2-methoxybenzamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-5-fluoro-2-methoxybenzamide (CID 34819371) is N-[2-[di(propan-2-yl)amino]ethyl]-5-fluoro-2-methoxybenzamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-5-fluoro-2-methoxybenzamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-5-fluoro-2-methoxybenzamide is COc1ccc(F)cc1C(=O)NCCN(C(C)C)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-5-fluoro-2-methoxybenzamide?
The InChIKey is KBMDXLMTFVCFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-11(2)19(12(3)4)9-8-18-16(20)14-10-13(17)6-7-15(14)21-5/h6-7,10-12H,8-9H2,1-5H3,(H,18,20).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-5-fluoro-2-methoxybenzamide?
N-[2-[di(propan-2-yl)amino]ethyl]-5-fluoro-2-methoxybenzamide has a molecular weight of 296.39 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-5-fluoro-2-methoxybenzamide is sourced from PubChem (CID 34819371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).