N-[(1-aminocyclohexyl)methyl]-5-bromo-2-fluorobenzamide

C14H18BrFN2O — CID 119404297

IUPACN-[(1-aminocyclohexyl)methyl]-5-bromo-2-fluorobenzamide
SMILESNC1(CNC(=O)c2cc(Br)ccc2F)CCCCC1
InChIInChI=1S/C14H18BrFN2O/c15-10-4-5-12(16)11(8-10)13(19)18-9-14(17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9,17H2,(H,18,19)
InChIKeyGGFHWOANWKLUIN-UHFFFAOYSA-N
MW329.21 g/mol
LogP2.98
Rot. Bonds3

About N-[(1-aminocyclohexyl)methyl]-5-bromo-2-fluorobenzamide

N-[(1-aminocyclohexyl)methyl]-5-bromo-2-fluorobenzamide (PubChem CID 119404297) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-5-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-5-bromo-2-fluorobenzamide
PubChem CID119404297
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC NameN-[(1-aminocyclohexyl)methyl]-5-bromo-2-fluorobenzamide
SMILESNC1(CNC(=O)c2cc(Br)ccc2F)CCCCC1
InChIInChI=1S/C14H18BrFN2O/c15-10-4-5-12(16)11(8-10)13(19)18-9-14(17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9,17H2,(H,18,19)
InChIKeyGGFHWOANWKLUIN-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-4-bromo-2-fluorobenzamide;hydrochloride
CID 119404145
1-[[(5-bromo-2-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435679
N-[(1-aminocyclohexyl)methyl]-4-bromo-2-chlorobenzamide
CID 119404679
N-[(1-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide;hydrochloride
CID 119404346
5-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62522163
N-[(1-aminocyclohexyl)methyl]-3,5-difluorobenzamide
CID 119404038
N-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide
CID 9296512
2-amino-5-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103967454
N-[(1-aminocyclohexyl)methyl]-2-(3-bromophenyl)acetamide
CID 119404421
4-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-fluorobenzamide
CID 18165179
N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide
CID 43553754
4-bromo-N-[(1-ethylcyclobutyl)methyl]-2-fluorobenzamide
CID 103741352

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-5-bromo-2-fluorobenzamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-5-bromo-2-fluorobenzamide (CID 119404297) is N-[(1-aminocyclohexyl)methyl]-5-bromo-2-fluorobenzamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-5-bromo-2-fluorobenzamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-5-bromo-2-fluorobenzamide is NC1(CNC(=O)c2cc(Br)ccc2F)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-5-bromo-2-fluorobenzamide?
The InChIKey is GGFHWOANWKLUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c15-10-4-5-12(16)11(8-10)13(19)18-9-14(17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9,17H2,(H,18,19).
What are the key properties of N-[(1-aminocyclohexyl)methyl]-5-bromo-2-fluorobenzamide?
N-[(1-aminocyclohexyl)methyl]-5-bromo-2-fluorobenzamide has a molecular weight of 329.21 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-5-bromo-2-fluorobenzamide is sourced from PubChem (CID 119404297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).