5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzamide

C15H21BrN2O — CID 64739491

IUPAC5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzamide
SMILESCC1CCC(NC(=O)c2cc(N)ccc2Br)CC1C
InChIInChI=1S/C15H21BrN2O/c1-9-3-5-12(7-10(9)2)18-15(19)13-8-11(17)4-6-14(13)16/h4,6,8-10,12H,3,5,7,17H2,1-2H3,(H,18,19)
InChIKeyQOKZCPVRUTVIQV-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.59
Rot. Bonds2

About 5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzamide

5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzamide (PubChem CID 64739491) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzamide
PubChem CID64739491
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzamide
SMILESCC1CCC(NC(=O)c2cc(N)ccc2Br)CC1C
InChIInChI=1S/C15H21BrN2O/c1-9-3-5-12(7-10(9)2)18-15(19)13-8-11(17)4-6-14(13)16/h4,6,8-10,12H,3,5,7,17H2,1-2H3,(H,18,19)
InChIKeyQOKZCPVRUTVIQV-UHFFFAOYSA-N
XLogP3.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-(2-methylcyclopropyl)benzamide
CID 62398473
4-amino-N-(3,4-dimethylcyclohexyl)benzamide
CID 64738901
2-bromo-N-(3,4-dimethylcyclohexyl)-4-fluorobenzamide
CID 64741558
5-amino-2-bromo-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 115297157
5-amino-2-bromo-N-(thiolan-3-yl)benzamide
CID 103062225
N-(2-adamantyl)-5-amino-2-bromobenzamide
CID 115297133
5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
CID 65206704
2-[(5-amino-2-bromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 115297377
5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 62365234
2-bromo-N-(1,2-dimethylpiperidin-4-yl)-5-methylbenzamide
CID 81001993
5-amino-2-methoxy-N-(3-methylcyclopentyl)benzamide
CID 114542636
5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide
CID 16796108

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzamide?
The IUPAC name of 5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzamide (CID 64739491) is 5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzamide?
The canonical SMILES for 5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzamide is CC1CCC(NC(=O)c2cc(N)ccc2Br)CC1C.
What is the InChIKey of 5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzamide?
The InChIKey is QOKZCPVRUTVIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-9-3-5-12(7-10(9)2)18-15(19)13-8-11(17)4-6-14(13)16/h4,6,8-10,12H,3,5,7,17H2,1-2H3,(H,18,19).
What are the key properties of 5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzamide?
5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzamide has a molecular weight of 325.25 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(3,4-dimethylcyclohexyl)benzamide is sourced from PubChem (CID 64739491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).