2-(ethylamino)-3-fluoro-N-(3-methylcyclohexyl)benzamide

C16H23FN2O — CID 62661165

IUPAC2-(ethylamino)-3-fluoro-N-(3-methylcyclohexyl)benzamide
SMILESCCNc1c(F)cccc1C(=O)NC1CCCC(C)C1
InChIInChI=1S/C16H23FN2O/c1-3-18-15-13(8-5-9-14(15)17)16(20)19-12-7-4-6-11(2)10-12/h5,8-9,11-12,18H,3-4,6-7,10H2,1-2H3,(H,19,20)
InChIKeyDELNSUUCZPVWKO-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.57
Rot. Bonds4

About 2-(ethylamino)-3-fluoro-N-(3-methylcyclohexyl)benzamide

2-(ethylamino)-3-fluoro-N-(3-methylcyclohexyl)benzamide (PubChem CID 62661165) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-(ethylamino)-3-fluoro-N-(3-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-(ethylamino)-3-fluoro-N-(3-methylcyclohexyl)benzamide
PubChem CID62661165
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name2-(ethylamino)-3-fluoro-N-(3-methylcyclohexyl)benzamide
SMILESCCNc1c(F)cccc1C(=O)NC1CCCC(C)C1
InChIInChI=1S/C16H23FN2O/c1-3-18-15-13(8-5-9-14(15)17)16(20)19-12-7-4-6-11(2)10-12/h5,8-9,11-12,18H,3-4,6-7,10H2,1-2H3,(H,19,20)
InChIKeyDELNSUUCZPVWKO-UHFFFAOYSA-N
XLogP3.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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-(4-methylcyclohexyl)benzamide
CID 62650059
2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide
CID 41097249
2-fluoro-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41097250
N-cyclobutyl-3-fluoro-2-(propylamino)benzamide
CID 62662485
2-(ethylamino)-N-(3-methylcyclohexyl)benzamide
CID 62169337
1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide
CID 141437065
3-fluoro-2-[(3-methylcyclohexyl)carbamoylamino]benzoic acid
CID 81498841
2-fluoro-6-hydroxy-N-(3-methylcyclohexyl)benzamide
CID 104916812
2-(ethylamino)-3-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107420575
N-(dicyclopropylmethyl)-2-(ethylamino)-3-fluorobenzamide
CID 62662474
2,3-difluoro-N-(4-methylcycloheptyl)benzamide
CID 102795195
2-(ethylamino)-3-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79357366

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-fluoro-N-(3-methylcyclohexyl)benzamide?
The IUPAC name of 2-(ethylamino)-3-fluoro-N-(3-methylcyclohexyl)benzamide (CID 62661165) is 2-(ethylamino)-3-fluoro-N-(3-methylcyclohexyl)benzamide.
What is the SMILES notation for 2-(ethylamino)-3-fluoro-N-(3-methylcyclohexyl)benzamide?
The canonical SMILES for 2-(ethylamino)-3-fluoro-N-(3-methylcyclohexyl)benzamide is CCNc1c(F)cccc1C(=O)NC1CCCC(C)C1.
What is the InChIKey of 2-(ethylamino)-3-fluoro-N-(3-methylcyclohexyl)benzamide?
The InChIKey is DELNSUUCZPVWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-3-18-15-13(8-5-9-14(15)17)16(20)19-12-7-4-6-11(2)10-12/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-(3-methylcyclohexyl)benzamide?
2-(ethylamino)-3-fluoro-N-(3-methylcyclohexyl)benzamide has a molecular weight of 278.37 g/mol, XLogP of 3.57, 4 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-(3-methylcyclohexyl)benzamide is sourced from PubChem (CID 62661165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).