N-[1-(aminomethyl)cyclopentyl]-4-bromo-2-(trifluoromethyl)benzamide

C14H16BrF3N2O — CID 107333140

IUPACN-[1-(aminomethyl)cyclopentyl]-4-bromo-2-(trifluoromethyl)benzamide
SMILESNCC1(NC(=O)c2ccc(Br)cc2C(F)(F)F)CCCC1
InChIInChI=1S/C14H16BrF3N2O/c15-9-3-4-10(11(7-9)14(16,17)18)12(21)20-13(8-19)5-1-2-6-13/h3-4,7H,1-2,5-6,8,19H2,(H,20,21)
InChIKeyJSBJEDBNLMJKLT-UHFFFAOYSA-N
MW365.19 g/mol
LogP3.47
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-4-bromo-2-(trifluoromethyl)benzamide

N-[1-(aminomethyl)cyclopentyl]-4-bromo-2-(trifluoromethyl)benzamide (PubChem CID 107333140) has the molecular formula C14H16BrF3N2O and a molecular weight of 365.19 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4-bromo-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4-bromo-2-(trifluoromethyl)benzamide
PubChem CID107333140
Molecular FormulaC14H16BrF3N2O
Molecular Weight365.19 g/mol
Exact Mass364.04
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4-bromo-2-(trifluoromethyl)benzamide
SMILESNCC1(NC(=O)c2ccc(Br)cc2C(F)(F)F)CCCC1
InChIInChI=1S/C14H16BrF3N2O/c15-9-3-4-10(11(7-9)14(16,17)18)12(21)20-13(8-19)5-1-2-6-13/h3-4,7H,1-2,5-6,8,19H2,(H,20,21)
InChIKeyJSBJEDBNLMJKLT-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.19
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride
CID 119567613
1-[[4-bromo-2-(trifluoromethyl)benzoyl]amino]cyclobutane-1-carboxylic acid
CID 107332634
4-bromo-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)benzamide
CID 103925298
4-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide
CID 103925334
N-[3-(aminomethyl)pentan-3-yl]-4-bromo-2-(trifluoromethyl)benzamide
CID 107333139
4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide
CID 104957576
4-bromo-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)benzamide
CID 103925064
N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)benzamide
CID 106297158
2,4-dibromo-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 113356722
4-bromo-N-(2-iodoethyl)-2-(trifluoromethyl)benzamide
CID 107333591
4-bromo-N-methoxy-2-(trifluoromethyl)benzamide
CID 103925205
N-[1-(aminomethyl)cyclohexyl]-2,4-dihydroxybenzamide
CID 107726341

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-bromo-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-bromo-2-(trifluoromethyl)benzamide (CID 107333140) is N-[1-(aminomethyl)cyclopentyl]-4-bromo-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4-bromo-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4-bromo-2-(trifluoromethyl)benzamide is NCC1(NC(=O)c2ccc(Br)cc2C(F)(F)F)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4-bromo-2-(trifluoromethyl)benzamide?
The InChIKey is JSBJEDBNLMJKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF3N2O/c15-9-3-4-10(11(7-9)14(16,17)18)12(21)20-13(8-19)5-1-2-6-13/h3-4,7H,1-2,5-6,8,19H2,(H,20,21).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4-bromo-2-(trifluoromethyl)benzamide?
N-[1-(aminomethyl)cyclopentyl]-4-bromo-2-(trifluoromethyl)benzamide has a molecular weight of 365.19 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-4-bromo-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 107333140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).