N-[2-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide

C16H23FN2O2 — CID 63870470

IUPACN-[2-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NCCOC2CCC(N)CC2)ccc1F
InChIInChI=1S/C16H23FN2O2/c1-11-10-12(2-7-15(11)17)16(20)19-8-9-21-14-5-3-13(18)4-6-14/h2,7,10,13-14H,3-6,8-9,18H2,1H3,(H,19,20)
InChIKeyMXHJLYMOUVLTOW-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.15
Rot. Bonds5

About N-[2-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide

N-[2-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide (PubChem CID 63870470) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[2-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide
PubChem CID63870470
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[2-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NCCOC2CCC(N)CC2)ccc1F
InChIInChI=1S/C16H23FN2O2/c1-11-10-12(2-7-15(11)17)16(20)19-8-9-21-14-5-3-13(18)4-6-14/h2,7,10,13-14H,3-6,8-9,18H2,1H3,(H,19,20)
InChIKeyMXHJLYMOUVLTOW-UHFFFAOYSA-N
XLogP2.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide
CID 63871300
N-[2-(4-aminocyclohexyl)oxyethyl]-5-chloro-2-methylbenzamide
CID 82871139
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide
CID 106753638
N-[2-(4-aminocyclohexyl)oxyethyl]-3-chloro-5-methylbenzamide
CID 81316459
N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dihydroxybenzamide
CID 107704978
N-(2-cyclopentylethyl)-4-fluoro-3-methylbenzamide
CID 63212188
N-(cyclopentylmethyl)-4-fluoro-3-methylbenzamide
CID 55163457
N-(2-cyclopentyloxyethyl)-4-fluoro-3-sulfanylbenzamide
CID 107030113
N-[2-(4-aminocyclohexyl)oxyethyl]-2-hydroxy-3-methylbenzamide
CID 63870129
N-[3-(4-aminocyclohexyl)oxypropyl]-4-iodobenzamide
CID 63871820
N-(3-aminopropyl)-4-fluoro-3-methylbenzamide
CID 63208781
N-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide
CID 78995301

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide?
The IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide (CID 63870470) is N-[2-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[2-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-[2-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)NCCOC2CCC(N)CC2)ccc1F.
What is the InChIKey of N-[2-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide?
The InChIKey is MXHJLYMOUVLTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-11-10-12(2-7-15(11)17)16(20)19-8-9-21-14-5-3-13(18)4-6-14/h2,7,10,13-14H,3-6,8-9,18H2,1H3,(H,19,20).
What are the key properties of N-[2-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide?
N-[2-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide has a molecular weight of 294.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 63870470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).