N-(4-aminocyclohexyl)-4-bromo-2-fluorobenzamide

C13H16BrFN2O — CID 55062535

IUPACN-(4-aminocyclohexyl)-4-bromo-2-fluorobenzamide
SMILESNC1CCC(NC(=O)c2ccc(Br)cc2F)CC1
InChIInChI=1S/C13H16BrFN2O/c14-8-1-6-11(12(15)7-8)13(18)17-10-4-2-9(16)3-5-10/h1,6-7,9-10H,2-5,16H2,(H,17,18)
InChIKeyUWLBENBVWHDVAP-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.59
Rot. Bonds2

About N-(4-aminocyclohexyl)-4-bromo-2-fluorobenzamide

N-(4-aminocyclohexyl)-4-bromo-2-fluorobenzamide (PubChem CID 55062535) has the molecular formula C13H16BrFN2O and a molecular weight of 315.19 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-bromo-2-fluorobenzamide
PubChem CID55062535
Molecular FormulaC13H16BrFN2O
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC NameN-(4-aminocyclohexyl)-4-bromo-2-fluorobenzamide
SMILESNC1CCC(NC(=O)c2ccc(Br)cc2F)CC1
InChIInChI=1S/C13H16BrFN2O/c14-8-1-6-11(12(15)7-8)13(18)17-10-4-2-9(16)3-5-10/h1,6-7,9-10H,2-5,16H2,(H,17,18)
InChIKeyUWLBENBVWHDVAP-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-bromo-2-fluoro-N-(1-oxothian-4-yl)benzamide
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4-bromo-N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide
CID 64722332
N-(4-aminocyclohexyl)-2-bromo-5-fluorobenzamide;hydrochloride
CID 119478924
N-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide
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[2-(cyclopropylamino)-2-oxoethyl] 4-bromo-2-fluorobenzoate
CID 9387808
N-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride
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CID 63524250

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-bromo-2-fluorobenzamide?
The IUPAC name of N-(4-aminocyclohexyl)-4-bromo-2-fluorobenzamide (CID 55062535) is N-(4-aminocyclohexyl)-4-bromo-2-fluorobenzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-bromo-2-fluorobenzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4-bromo-2-fluorobenzamide is NC1CCC(NC(=O)c2ccc(Br)cc2F)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-bromo-2-fluorobenzamide?
The InChIKey is UWLBENBVWHDVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O/c14-8-1-6-11(12(15)7-8)13(18)17-10-4-2-9(16)3-5-10/h1,6-7,9-10H,2-5,16H2,(H,17,18).
What are the key properties of N-(4-aminocyclohexyl)-4-bromo-2-fluorobenzamide?
N-(4-aminocyclohexyl)-4-bromo-2-fluorobenzamide has a molecular weight of 315.19 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-bromo-2-fluorobenzamide is sourced from PubChem (CID 55062535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).