5-amino-2-bromo-N-[(1-hydroxycyclopentyl)methyl]benzamide

C13H17BrN2O2 — CID 65104033

IUPAC5-amino-2-bromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
SMILESNc1ccc(Br)c(C(=O)NCC2(O)CCCC2)c1
InChIInChI=1S/C13H17BrN2O2/c14-11-4-3-9(15)7-10(11)12(17)16-8-13(18)5-1-2-6-13/h3-4,7,18H,1-2,5-6,8,15H2,(H,16,17)
InChIKeyZKQCKSYUPANORW-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.07
Rot. Bonds3

About 5-amino-2-bromo-N-[(1-hydroxycyclopentyl)methyl]benzamide

5-amino-2-bromo-N-[(1-hydroxycyclopentyl)methyl]benzamide (PubChem CID 65104033) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[(1-hydroxycyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
PubChem CID65104033
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name5-amino-2-bromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
SMILESNc1ccc(Br)c(C(=O)NCC2(O)CCCC2)c1
InChIInChI=1S/C13H17BrN2O2/c14-11-4-3-9(15)7-10(11)12(17)16-8-13(18)5-1-2-6-13/h3-4,7,18H,1-2,5-6,8,15H2,(H,16,17)
InChIKeyZKQCKSYUPANORW-UHFFFAOYSA-N
XLogP2.07
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 114372464
5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357739
5-amino-2-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65117743
5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123464
2-bromo-5-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103712029
2-bromo-N-[(1-hydroxycycloheptyl)methyl]-5-methylbenzamide
CID 81003216
1-[[(5-amino-2-bromobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445974
4-amino-2-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 65103472
2-amino-5-bromo-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
CID 114193980
2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103883040
5-amino-2-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
CID 107162859
2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide
CID 65106081

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[(1-hydroxycyclopentyl)methyl]benzamide?
The IUPAC name of 5-amino-2-bromo-N-[(1-hydroxycyclopentyl)methyl]benzamide (CID 65104033) is 5-amino-2-bromo-N-[(1-hydroxycyclopentyl)methyl]benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-[(1-hydroxycyclopentyl)methyl]benzamide?
The canonical SMILES for 5-amino-2-bromo-N-[(1-hydroxycyclopentyl)methyl]benzamide is Nc1ccc(Br)c(C(=O)NCC2(O)CCCC2)c1.
What is the InChIKey of 5-amino-2-bromo-N-[(1-hydroxycyclopentyl)methyl]benzamide?
The InChIKey is ZKQCKSYUPANORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c14-11-4-3-9(15)7-10(11)12(17)16-8-13(18)5-1-2-6-13/h3-4,7,18H,1-2,5-6,8,15H2,(H,16,17).
What are the key properties of 5-amino-2-bromo-N-[(1-hydroxycyclopentyl)methyl]benzamide?
5-amino-2-bromo-N-[(1-hydroxycyclopentyl)methyl]benzamide has a molecular weight of 313.19 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-[(1-hydroxycyclopentyl)methyl]benzamide is sourced from PubChem (CID 65104033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).