N-(dicyclopropylmethyl)-2-(ethylamino)-3-fluorobenzamide

C16H21FN2O — CID 62662474

IUPACN-(dicyclopropylmethyl)-2-(ethylamino)-3-fluorobenzamide
SMILESCCNc1c(F)cccc1C(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C16H21FN2O/c1-2-18-15-12(4-3-5-13(15)17)16(20)19-14(10-6-7-10)11-8-9-11/h3-5,10-11,14,18H,2,6-9H2,1H3,(H,19,20)
InChIKeyIVXJTSCYVFBXJW-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.18
Rot. Bonds6

About N-(dicyclopropylmethyl)-2-(ethylamino)-3-fluorobenzamide

N-(dicyclopropylmethyl)-2-(ethylamino)-3-fluorobenzamide (PubChem CID 62662474) has the molecular formula C16H21FN2O and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(ethylamino)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-(ethylamino)-3-fluorobenzamide
PubChem CID62662474
Molecular FormulaC16H21FN2O
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC NameN-(dicyclopropylmethyl)-2-(ethylamino)-3-fluorobenzamide
SMILESCCNc1c(F)cccc1C(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C16H21FN2O/c1-2-18-15-12(4-3-5-13(15)17)16(20)19-14(10-6-7-10)11-8-9-11/h3-5,10-11,14,18H,2,6-9H2,1H3,(H,19,20)
InChIKeyIVXJTSCYVFBXJW-UHFFFAOYSA-N
XLogP3.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(dicyclopropylmethyl)-3-fluoro-2-(methylamino)benzamide
CID 62662473
N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62648907
N-(dicyclopropylmethyl)-2-(ethylamino)pyridine-3-carboxamide
CID 62178341
2-(ethylamino)-3-fluoro-N-heptan-2-ylbenzamide
CID 62662293
2-(ethylamino)-3-fluoro-N-(4-methylcyclohexyl)benzamide
CID 62650059
N-(cyclohexylmethyl)-2-(ethylamino)-3-fluorobenzamide
CID 62661338
2-(ethylamino)-3-fluoro-N-(3-methylcyclohexyl)benzamide
CID 62661165
2-(ethylamino)-3-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79357366
2-(ethylamino)-3-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107420575
2-(ethylamino)-3-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 55100188
2-(ethylamino)-3-fluoro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 63295814
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(ethylamino)-3-fluorobenzamide
CID 62660729

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-(ethylamino)-3-fluorobenzamide?
The IUPAC name of N-(dicyclopropylmethyl)-2-(ethylamino)-3-fluorobenzamide (CID 62662474) is N-(dicyclopropylmethyl)-2-(ethylamino)-3-fluorobenzamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-(ethylamino)-3-fluorobenzamide?
The canonical SMILES for N-(dicyclopropylmethyl)-2-(ethylamino)-3-fluorobenzamide is CCNc1c(F)cccc1C(=O)NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-(ethylamino)-3-fluorobenzamide?
The InChIKey is IVXJTSCYVFBXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-2-18-15-12(4-3-5-13(15)17)16(20)19-14(10-6-7-10)11-8-9-11/h3-5,10-11,14,18H,2,6-9H2,1H3,(H,19,20).
What are the key properties of N-(dicyclopropylmethyl)-2-(ethylamino)-3-fluorobenzamide?
N-(dicyclopropylmethyl)-2-(ethylamino)-3-fluorobenzamide has a molecular weight of 276.36 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-(ethylamino)-3-fluorobenzamide is sourced from PubChem (CID 62662474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).