N-(4-amino-3-bromophenyl)cyclohexanecarboxamide

C13H17BrN2O — CID 82861844

IUPACN-(4-amino-3-bromophenyl)cyclohexanecarboxamide
SMILESNc1ccc(NC(=O)C2CCCCC2)cc1Br
InChIInChI=1S/C13H17BrN2O/c14-11-8-10(6-7-12(11)15)16-13(17)9-4-2-1-3-5-9/h6-9H,1-5,15H2,(H,16,17)
InChIKeyOQZCVRVYZYRTSY-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.55
Rot. Bonds2

About N-(4-amino-3-bromophenyl)cyclohexanecarboxamide

N-(4-amino-3-bromophenyl)cyclohexanecarboxamide (PubChem CID 82861844) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is N-(4-amino-3-bromophenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-amino-3-bromophenyl)cyclohexanecarboxamide
PubChem CID82861844
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC NameN-(4-amino-3-bromophenyl)cyclohexanecarboxamide
SMILESNc1ccc(NC(=O)C2CCCCC2)cc1Br
InChIInChI=1S/C13H17BrN2O/c14-11-8-10(6-7-12(11)15)16-13(17)9-4-2-1-3-5-9/h6-9H,1-5,15H2,(H,16,17)
InChIKeyOQZCVRVYZYRTSY-UHFFFAOYSA-N
XLogP3.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.55
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

N-(4-amino-3-bromophenyl)cycloheptanecarboxamide
CID 82861556
N-(3-amino-4-bromophenyl)cyclohexanecarboxamide
CID 79767895
N-(4-amino-3-hydroxyphenyl)cyclohexanecarboxamide
CID 143616752
N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide
CID 766715
N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
CID 110776805
2-bromo-4-(cycloheptanecarbonylamino)benzenesulfonyl chloride
CID 62586848
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208
1-(4-amino-3-bromophenyl)-3-cyclobutylurea
CID 116653685
N-(4-amino-2,6-dibromophenyl)cycloheptanecarboxamide
CID 62586302
N-(4-amino-2-bromophenyl)cyclohexanecarboxamide
CID 1133414

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-bromophenyl)cyclohexanecarboxamide?
The IUPAC name of N-(4-amino-3-bromophenyl)cyclohexanecarboxamide (CID 82861844) is N-(4-amino-3-bromophenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4-amino-3-bromophenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(4-amino-3-bromophenyl)cyclohexanecarboxamide is Nc1ccc(NC(=O)C2CCCCC2)cc1Br.
What is the InChIKey of N-(4-amino-3-bromophenyl)cyclohexanecarboxamide?
The InChIKey is OQZCVRVYZYRTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c14-11-8-10(6-7-12(11)15)16-13(17)9-4-2-1-3-5-9/h6-9H,1-5,15H2,(H,16,17).
What are the key properties of N-(4-amino-3-bromophenyl)cyclohexanecarboxamide?
N-(4-amino-3-bromophenyl)cyclohexanecarboxamide has a molecular weight of 297.20 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-bromophenyl)cyclohexanecarboxamide is sourced from PubChem (CID 82861844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).