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

C16H23FN2O — CID 62661338

IUPACN-(cyclohexylmethyl)-2-(ethylamino)-3-fluorobenzamide
SMILESCCNc1c(F)cccc1C(=O)NCC1CCCCC1
InChIInChI=1S/C16H23FN2O/c1-2-18-15-13(9-6-10-14(15)17)16(20)19-11-12-7-4-3-5-8-12/h6,9-10,12,18H,2-5,7-8,11H2,1H3,(H,19,20)
InChIKeyPFFDUOHPORRIRM-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.57
Rot. Bonds5

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

N-(cyclohexylmethyl)-2-(ethylamino)-3-fluorobenzamide (PubChem CID 62661338) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(ethylamino)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(ethylamino)-3-fluorobenzamide
PubChem CID62661338
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-(cyclohexylmethyl)-2-(ethylamino)-3-fluorobenzamide
SMILESCCNc1c(F)cccc1C(=O)NCC1CCCCC1
InChIInChI=1S/C16H23FN2O/c1-2-18-15-13(9-6-10-14(15)17)16(20)19-11-12-7-4-3-5-8-12/h6,9-10,12,18H,2-5,7-8,11H2,1H3,(H,19,20)
InChIKeyPFFDUOHPORRIRM-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-3-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 62661731
N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide
CID 62660297
2-(ethylamino)-3-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107420575
N-(cyclopentylmethyl)-2,3-difluorobenzamide
CID 62649354
N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62648907
2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide
CID 173284973
N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660969
N-cyclohexyl-N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62650074
N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)benzamide
CID 62662231
N-(2-butoxyethyl)-2-(ethylamino)-3-fluorobenzamide
CID 62660550
2-(ethylamino)-3-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 55100188
N-(dicyclopropylmethyl)-2-(ethylamino)-3-fluorobenzamide
CID 62662474

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(ethylamino)-3-fluorobenzamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(ethylamino)-3-fluorobenzamide (CID 62661338) is N-(cyclohexylmethyl)-2-(ethylamino)-3-fluorobenzamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(ethylamino)-3-fluorobenzamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(ethylamino)-3-fluorobenzamide is CCNc1c(F)cccc1C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(ethylamino)-3-fluorobenzamide?
The InChIKey is PFFDUOHPORRIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-2-18-15-13(9-6-10-14(15)17)16(20)19-11-12-7-4-3-5-8-12/h6,9-10,12,18H,2-5,7-8,11H2,1H3,(H,19,20).
What are the key properties of N-(cyclohexylmethyl)-2-(ethylamino)-3-fluorobenzamide?
N-(cyclohexylmethyl)-2-(ethylamino)-3-fluorobenzamide has a molecular weight of 278.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(ethylamino)-3-fluorobenzamide is sourced from PubChem (CID 62661338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).