N-[2-(4-aminocyclohexyl)oxyethyl]-2-bromo-5-fluorobenzamide

C15H20BrFN2O2 — CID 63870800

IUPACN-[2-(4-aminocyclohexyl)oxyethyl]-2-bromo-5-fluorobenzamide
SMILESNC1CCC(OCCNC(=O)c2cc(F)ccc2Br)CC1
InChIInChI=1S/C15H20BrFN2O2/c16-14-6-1-10(17)9-13(14)15(20)19-7-8-21-12-4-2-11(18)3-5-12/h1,6,9,11-12H,2-5,7-8,18H2,(H,19,20)
InChIKeyWDYBJZSFEXJWQZ-UHFFFAOYSA-N
MW359.24 g/mol
LogP2.60
Rot. Bonds5

About N-[2-(4-aminocyclohexyl)oxyethyl]-2-bromo-5-fluorobenzamide

N-[2-(4-aminocyclohexyl)oxyethyl]-2-bromo-5-fluorobenzamide (PubChem CID 63870800) has the molecular formula C15H20BrFN2O2 and a molecular weight of 359.24 g/mol. Its IUPAC name is N-[2-(4-aminocyclohexyl)oxyethyl]-2-bromo-5-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-aminocyclohexyl)oxyethyl]-2-bromo-5-fluorobenzamide
PubChem CID63870800
Molecular FormulaC15H20BrFN2O2
Molecular Weight359.24 g/mol
Exact Mass358.07
IUPAC NameN-[2-(4-aminocyclohexyl)oxyethyl]-2-bromo-5-fluorobenzamide
SMILESNC1CCC(OCCNC(=O)c2cc(F)ccc2Br)CC1
InChIInChI=1S/C15H20BrFN2O2/c16-14-6-1-10(17)9-13(14)15(20)19-7-8-21-12-4-2-11(18)3-5-12/h1,6,9,11-12H,2-5,7-8,18H2,(H,19,20)
InChIKeyWDYBJZSFEXJWQZ-UHFFFAOYSA-N
XLogP2.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.24
LogP ≤ 52.60
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

2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
CID 24703783
N-(4-aminocyclohexyl)-2-bromo-5-fluorobenzamide;hydrochloride
CID 119478924
2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide
CID 24703752
N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-2-bromo-5-fluorobenzamide;hydrochloride
CID 119375106
N-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide
CID 63871300
N-[2-(4-aminocyclohexyl)oxyethyl]-5-chloro-2-methylbenzamide
CID 82871139
2-bromo-N-(2-cyclohexyloxyethyl)-5-methoxybenzamide
CID 61150115
N-[2-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide
CID 63870470
1-[2-(4-aminocyclohexyl)oxyethyl]-3-(3-fluorophenyl)urea
CID 63869255
2-bromo-N-[3-(2-chloroethoxy)propyl]-5-fluorobenzamide
CID 106306823
2-bromo-N-(5-bromopentyl)-5-fluorobenzamide
CID 107322000
N-[2-(4-aminocyclohexyl)oxyethyl]-2-hydroxy-3-methylbenzamide
CID 63870129

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-2-bromo-5-fluorobenzamide?
The IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-2-bromo-5-fluorobenzamide (CID 63870800) is N-[2-(4-aminocyclohexyl)oxyethyl]-2-bromo-5-fluorobenzamide.
What is the SMILES notation for N-[2-(4-aminocyclohexyl)oxyethyl]-2-bromo-5-fluorobenzamide?
The canonical SMILES for N-[2-(4-aminocyclohexyl)oxyethyl]-2-bromo-5-fluorobenzamide is NC1CCC(OCCNC(=O)c2cc(F)ccc2Br)CC1.
What is the InChIKey of N-[2-(4-aminocyclohexyl)oxyethyl]-2-bromo-5-fluorobenzamide?
The InChIKey is WDYBJZSFEXJWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O2/c16-14-6-1-10(17)9-13(14)15(20)19-7-8-21-12-4-2-11(18)3-5-12/h1,6,9,11-12H,2-5,7-8,18H2,(H,19,20).
What are the key properties of N-[2-(4-aminocyclohexyl)oxyethyl]-2-bromo-5-fluorobenzamide?
N-[2-(4-aminocyclohexyl)oxyethyl]-2-bromo-5-fluorobenzamide has a molecular weight of 359.24 g/mol, XLogP of 2.60, 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]-2-bromo-5-fluorobenzamide is sourced from PubChem (CID 63870800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).