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

C15H21BrN2O2 — CID 103967454

IUPAC2-amino-5-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
SMILESNc1ccc(Br)cc1C(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C15H21BrN2O2/c16-11-4-5-13(17)12(8-11)14(20)18-9-15(10-19)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7,9-10,17H2,(H,18,20)
InChIKeyWAFOJKRZJUTAFB-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.70
Rot. Bonds4

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

2-amino-5-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide (PubChem CID 103967454) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
PubChem CID103967454
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-amino-5-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
SMILESNc1ccc(Br)cc1C(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C15H21BrN2O2/c16-11-4-5-13(17)12(8-11)14(20)18-9-15(10-19)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7,9-10,17H2,(H,18,20)
InChIKeyWAFOJKRZJUTAFB-UHFFFAOYSA-N
XLogP2.70
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.70
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

5-bromo-2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 110631551
5-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
CID 113294009
4-bromo-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701402
2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide
CID 115357765
2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103965171
5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357739
[1-[(2-amino-5-bromoanilino)methyl]cyclopentyl]methanol
CID 115358053
4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide
CID 103965180
5-amino-2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357710
2,4-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide
CID 107941343
4-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide
CID 103925334
4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357758

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
The IUPAC name of 2-amino-5-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide (CID 103967454) is 2-amino-5-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 2-amino-5-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
The canonical SMILES for 2-amino-5-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide is Nc1ccc(Br)cc1C(=O)NCC1(CO)CCCCC1.
What is the InChIKey of 2-amino-5-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
The InChIKey is WAFOJKRZJUTAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c16-11-4-5-13(17)12(8-11)14(20)18-9-15(10-19)6-2-1-3-7-15/h4-5,8,19H,1-3,6-7,9-10,17H2,(H,18,20).
What are the key properties of 2-amino-5-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
2-amino-5-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide has a molecular weight of 341.25 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 103967454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).