5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide

C13H17BrN2O2 — CID 62365234

IUPAC5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide
SMILESNc1ccc(Br)c(C(=O)NC2CCCCC2O)c1
InChIInChI=1S/C13H17BrN2O2/c14-10-6-5-8(15)7-9(10)13(18)16-11-3-1-2-4-12(11)17/h5-7,11-12,17H,1-4,15H2,(H,16,18)
InChIKeyRPVYDPMLRZTARY-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.06
Rot. Bonds2

About 5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide

5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide (PubChem CID 62365234) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide
PubChem CID62365234
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide
SMILESNc1ccc(Br)c(C(=O)NC2CCCCC2O)c1
InChIInChI=1S/C13H17BrN2O2/c14-10-6-5-8(15)7-9(10)13(18)16-11-3-1-2-4-12(11)17/h5-7,11-12,17H,1-4,15H2,(H,16,18)
InChIKeyRPVYDPMLRZTARY-UHFFFAOYSA-N
XLogP2.06
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.06
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-amino-2-bromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 115297377
5-amino-2-bromo-N-(2-methylcyclopropyl)benzamide
CID 62398473
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-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dimethylbenzamide
CID 135309339
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide
CID 107211254
2-amino-5-fluoro-N-(2-hydroxycyclohexyl)benzamide
CID 62366282
4-amino-3-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 107221679
3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 107211397
N-(2-adamantyl)-5-amino-2-bromobenzamide
CID 115297133
3-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzamide
CID 107953230
5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927973

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide?
The IUPAC name of 5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide (CID 62365234) is 5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide?
The canonical SMILES for 5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide is Nc1ccc(Br)c(C(=O)NC2CCCCC2O)c1.
What is the InChIKey of 5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide?
The InChIKey is RPVYDPMLRZTARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c14-10-6-5-8(15)7-9(10)13(18)16-11-3-1-2-4-12(11)17/h5-7,11-12,17H,1-4,15H2,(H,16,18).
What are the key properties of 5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide?
5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide has a molecular weight of 313.19 g/mol, XLogP of 2.06, 2 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-(2-hydroxycyclohexyl)benzamide is sourced from PubChem (CID 62365234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).