N-(3-amino-2,2-dimethylpropyl)-2-ethoxy-3-fluoro-N-methylbenzamide

C15H23FN2O2 — CID 119652887

IUPACN-(3-amino-2,2-dimethylpropyl)-2-ethoxy-3-fluoro-N-methylbenzamide
SMILESCCOc1c(F)cccc1C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C15H23FN2O2/c1-5-20-13-11(7-6-8-12(13)16)14(19)18(4)10-15(2,3)9-17/h6-8H,5,9-10,17H2,1-4H3
InChIKeyOEDWHGBORFWQSX-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.28
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-2-ethoxy-3-fluoro-N-methylbenzamide

N-(3-amino-2,2-dimethylpropyl)-2-ethoxy-3-fluoro-N-methylbenzamide (PubChem CID 119652887) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-ethoxy-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-ethoxy-3-fluoro-N-methylbenzamide
PubChem CID119652887
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-ethoxy-3-fluoro-N-methylbenzamide
SMILESCCOc1c(F)cccc1C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C15H23FN2O2/c1-5-20-13-11(7-6-8-12(13)16)14(19)18(4)10-15(2,3)9-17/h6-8H,5,9-10,17H2,1-4H3
InChIKeyOEDWHGBORFWQSX-UHFFFAOYSA-N
XLogP2.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3282
Exalamide
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(2-Ethoxy-benzoylamino)-acetic acid
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N-[3-(dimethylamino)propyl]-2-phenoxybenzamide
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2-(3-Buten-1-yloxy)benzamide
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2-{[4-Fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
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2-{2-[3-(Piperazin-1-ylcarbonyl)phenyl]ethoxy}benzamide
CID 25218489
5-Fluoro-2-{[4-fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218495
2-Methoxy-N-(3-methyl-2-phenyl-butyl)-benzamide
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2-ethoxy-N-{2-[(2-ethoxybenzoyl)amino]ethyl}benzamide
CID 1769368

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-ethoxy-3-fluoro-N-methylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-ethoxy-3-fluoro-N-methylbenzamide (CID 119652887) is N-(3-amino-2,2-dimethylpropyl)-2-ethoxy-3-fluoro-N-methylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-ethoxy-3-fluoro-N-methylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-ethoxy-3-fluoro-N-methylbenzamide is CCOc1c(F)cccc1C(=O)N(C)CC(C)(C)CN.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-ethoxy-3-fluoro-N-methylbenzamide?
The InChIKey is OEDWHGBORFWQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-5-20-13-11(7-6-8-12(13)16)14(19)18(4)10-15(2,3)9-17/h6-8H,5,9-10,17H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-ethoxy-3-fluoro-N-methylbenzamide?
N-(3-amino-2,2-dimethylpropyl)-2-ethoxy-3-fluoro-N-methylbenzamide has a molecular weight of 282.36 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-ethoxy-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 119652887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).