2-amino-5-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dimethylbenzamide

C15H21BrN2O2 — CID 135309339

IUPAC2-amino-5-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dimethylbenzamide
SMILESCc1c(Br)cc(C(=O)N[C@@H]2CCCC[C@H]2O)c(N)c1C
InChIInChI=1S/C15H21BrN2O2/c1-8-9(2)14(17)10(7-11(8)16)15(20)18-12-5-3-4-6-13(12)19/h7,12-13,19H,3-6,17H2,1-2H3,(H,18,20)/t12-,13-/m1/s1
InChIKeyXEBBLNJBADXCCY-CHWSQXEVSA-N
MW341.25 g/mol
LogP2.68
Rot. Bonds2

About 2-amino-5-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dimethylbenzamide

2-amino-5-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dimethylbenzamide (PubChem CID 135309339) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dimethylbenzamide
PubChem CID135309339
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-amino-5-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dimethylbenzamide
SMILESCc1c(Br)cc(C(=O)N[C@@H]2CCCC[C@H]2O)c(N)c1C
InChIInChI=1S/C15H21BrN2O2/c1-8-9(2)14(17)10(7-11(8)16)15(20)18-12-5-3-4-6-13(12)19/h7,12-13,19H,3-6,17H2,1-2H3,(H,18,20)/t12-,13-/m1/s1
InChIKeyXEBBLNJBADXCCY-CHWSQXEVSA-N
XLogP2.68
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.68
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-amino-N-(2-hydroxycyclohexyl)-2,4-dimethylbenzamide
CID 102705498
5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 62365234
5-amino-8-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydroisoquinoline-6-carboxamide
CID 90290587
5-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzamide
CID 104956752
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzamide
CID 107211262
2-amino-4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 107221910
2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide
CID 107939682
2-amino-5-bromo-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
CID 62359305
2-amino-5-fluoro-N-(2-hydroxycyclohexyl)benzamide
CID 62366282
4-amino-3-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 107221679
4-bromo-N-[(2S)-2-hydroxycyclohexyl]-1-(methylaminomethyl)naphthalene-2-carboxamide
CID 130441265
N-[(1R,2R)-2-hydroxycyclohexyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104927899

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dimethylbenzamide?
The IUPAC name of 2-amino-5-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dimethylbenzamide (CID 135309339) is 2-amino-5-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dimethylbenzamide.
What is the SMILES notation for 2-amino-5-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dimethylbenzamide?
The canonical SMILES for 2-amino-5-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dimethylbenzamide is Cc1c(Br)cc(C(=O)N[C@@H]2CCCC[C@H]2O)c(N)c1C.
What is the InChIKey of 2-amino-5-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dimethylbenzamide?
The InChIKey is XEBBLNJBADXCCY-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-8-9(2)14(17)10(7-11(8)16)15(20)18-12-5-3-4-6-13(12)19/h7,12-13,19H,3-6,17H2,1-2H3,(H,18,20)/t12-,13-/m1/s1.
What are the key properties of 2-amino-5-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dimethylbenzamide?
2-amino-5-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dimethylbenzamide has a molecular weight of 341.25 g/mol, XLogP of 2.68, 2 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-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 135309339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).