4-(3-aminocyclohexyl)oxy-2-bromobenzamide

C13H17BrN2O2 — CID 107281575

IUPAC4-(3-aminocyclohexyl)oxy-2-bromobenzamide
SMILESNC(=O)c1ccc(OC2CCCC(N)C2)cc1Br
InChIInChI=1S/C13H17BrN2O2/c14-12-7-10(4-5-11(12)13(16)17)18-9-3-1-2-8(15)6-9/h4-5,7-9H,1-3,6,15H2,(H2,16,17)
InChIKeyLSYPSONDSSKVLD-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.20
Rot. Bonds3

About 4-(3-aminocyclohexyl)oxy-2-bromobenzamide

4-(3-aminocyclohexyl)oxy-2-bromobenzamide (PubChem CID 107281575) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 4-(3-aminocyclohexyl)oxy-2-bromobenzamide.

Molecular Properties

Compound Name4-(3-aminocyclohexyl)oxy-2-bromobenzamide
PubChem CID107281575
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name4-(3-aminocyclohexyl)oxy-2-bromobenzamide
SMILESNC(=O)c1ccc(OC2CCCC(N)C2)cc1Br
InChIInChI=1S/C13H17BrN2O2/c14-12-7-10(4-5-11(12)13(16)17)18-9-3-1-2-8(15)6-9/h4-5,7-9H,1-3,6,15H2,(H2,16,17)
InChIKeyLSYPSONDSSKVLD-UHFFFAOYSA-N
XLogP2.20
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N'-hydroxy-4-(3-methoxycyclohexyl)oxybenzenecarboximidamide
CID 107279013
methyl 3-(3-aminocyclohexyl)oxybenzoate
CID 117053613
2-bromo-4-(trioxidanyl)benzamide
CID 143797980
6-cyclobutyloxyindole-1,3-dicarboxamide
CID 57078576
1-[2-amino-4-(3-methoxycyclohexyl)oxyphenyl]ethanone
CID 104529355
4-cycloheptyloxybenzamide
CID 141109251
4-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid
CID 81294246
3-cyclopentyloxybenzamide
CID 71932153
4-(4-aminopiperidin-1-yl)-2-bromobenzamide
CID 107280577
4-cycloheptyloxy-2-methylbenzenecarbothioamide
CID 81277562
1-(2-amino-5-cyclohexyloxyphenyl)ethanone
CID 113433081
5-(4-cyclopentyloxy-2-methylphenoxy)-2-methylbenzamide
CID 177024658

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminocyclohexyl)oxy-2-bromobenzamide?
The IUPAC name of 4-(3-aminocyclohexyl)oxy-2-bromobenzamide (CID 107281575) is 4-(3-aminocyclohexyl)oxy-2-bromobenzamide.
What is the SMILES notation for 4-(3-aminocyclohexyl)oxy-2-bromobenzamide?
The canonical SMILES for 4-(3-aminocyclohexyl)oxy-2-bromobenzamide is NC(=O)c1ccc(OC2CCCC(N)C2)cc1Br.
What is the InChIKey of 4-(3-aminocyclohexyl)oxy-2-bromobenzamide?
The InChIKey is LSYPSONDSSKVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c14-12-7-10(4-5-11(12)13(16)17)18-9-3-1-2-8(15)6-9/h4-5,7-9H,1-3,6,15H2,(H2,16,17).
What are the key properties of 4-(3-aminocyclohexyl)oxy-2-bromobenzamide?
4-(3-aminocyclohexyl)oxy-2-bromobenzamide has a molecular weight of 313.19 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminocyclohexyl)oxy-2-bromobenzamide is sourced from PubChem (CID 107281575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).