2-(ethylamino)-3-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide

C16H23FN2O — CID 107420575

IUPAC2-(ethylamino)-3-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide
SMILESCCNc1c(F)cccc1C(=O)NCC1CCCC1C
InChIInChI=1S/C16H23FN2O/c1-3-18-15-13(8-5-9-14(15)17)16(20)19-10-12-7-4-6-11(12)2/h5,8-9,11-12,18H,3-4,6-7,10H2,1-2H3,(H,19,20)
InChIKeyXKDGOGOSKLGVLM-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.42
Rot. Bonds5

About 2-(ethylamino)-3-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide

2-(ethylamino)-3-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide (PubChem CID 107420575) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-(ethylamino)-3-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name2-(ethylamino)-3-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide
PubChem CID107420575
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name2-(ethylamino)-3-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide
SMILESCCNc1c(F)cccc1C(=O)NCC1CCCC1C
InChIInChI=1S/C16H23FN2O/c1-3-18-15-13(8-5-9-14(15)17)16(20)19-10-12-7-4-6-11(12)2/h5,8-9,11-12,18H,3-4,6-7,10H2,1-2H3,(H,19,20)
InChIKeyXKDGOGOSKLGVLM-UHFFFAOYSA-N
XLogP3.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 62660422
N-(cyclohexylmethyl)-2-(ethylamino)-3-fluorobenzamide
CID 62661338
N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62648907
2-fluoro-6-hydroxy-N-[(2-methylcyclohexyl)methyl]benzamide
CID 107015192
2-(ethylamino)-3-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 62661731
3-fluoro-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzamide
CID 113464159
2-(ethylamino)-3-fluoro-N-(3-methylcyclohexyl)benzamide
CID 62661165
2-(ethylamino)-3-fluoro-N-(4-methylcyclohexyl)benzamide
CID 62650059
4,5-difluoro-2-[(2-methylcyclopentyl)methylcarbamoyl]benzoic acid
CID 107416687
2-(methylamino)-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107419522
N-cyclohexyl-N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62650074
2-(ethylamino)-3-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 55100188

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide?
The IUPAC name of 2-(ethylamino)-3-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide (CID 107420575) is 2-(ethylamino)-3-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide.
What is the SMILES notation for 2-(ethylamino)-3-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide?
The canonical SMILES for 2-(ethylamino)-3-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide is CCNc1c(F)cccc1C(=O)NCC1CCCC1C.
What is the InChIKey of 2-(ethylamino)-3-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide?
The InChIKey is XKDGOGOSKLGVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-3-18-15-13(8-5-9-14(15)17)16(20)19-10-12-7-4-6-11(12)2/h5,8-9,11-12,18H,3-4,6-7,10H2,1-2H3,(H,19,20).
What are the key properties of 2-(ethylamino)-3-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide?
2-(ethylamino)-3-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide has a molecular weight of 278.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide is sourced from PubChem (CID 107420575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).