6-amino-1-(3-bromophenyl)cyclohexa-2,4-diene-1-carboxamide

C13H13BrN2O — CID 70178928

IUPAC6-amino-1-(3-bromophenyl)cyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1(c2cccc(Br)c2)C=CC=CC1N
InChIInChI=1S/C13H13BrN2O/c14-10-5-3-4-9(8-10)13(12(16)17)7-2-1-6-11(13)15/h1-8,11H,15H2,(H2,16,17)
InChIKeyXYMIHEIMPBYNDV-UHFFFAOYSA-N
MW293.16 g/mol
LogP1.63
Rot. Bonds2

About 6-amino-1-(3-bromophenyl)cyclohexa-2,4-diene-1-carboxamide

6-amino-1-(3-bromophenyl)cyclohexa-2,4-diene-1-carboxamide (PubChem CID 70178928) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 6-amino-1-(3-bromophenyl)cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-amino-1-(3-bromophenyl)cyclohexa-2,4-diene-1-carboxamide
PubChem CID70178928
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name6-amino-1-(3-bromophenyl)cyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1(c2cccc(Br)c2)C=CC=CC1N
InChIInChI=1S/C13H13BrN2O/c14-10-5-3-4-9(8-10)13(12(16)17)7-2-1-6-11(13)15/h1-8,11H,15H2,(H2,16,17)
InChIKeyXYMIHEIMPBYNDV-UHFFFAOYSA-N
XLogP1.63
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
CID 58563114
1-(3-bromophenyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
CID 76831250
1-(3-bromophenyl)-3,3-dimethylcyclobutane-1-carboxamide
CID 166079994
4-(3-bromophenyl)piperidine-4-carboxamide
CID 82307410
1-(3-bromophenyl)-3-oxo-2-benzofuran-1-carboxamide
CID 101092549
1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylic acid
CID 83488510
1-(3-bromophenyl)-3,3-difluorocyclobutane-1-carbohydrazide
CID 155749454
1-(3-bromophenyl)cyclobutane-1-carboxylic acid
CID 16769973
1-(3-bromophenyl)cyclopropan-1-amine
CID 11127564
1-[1-(3-bromophenyl)-3-methylcyclobutanecarbonyl]-1-(methylamino)thiourea
CID 171781426
1-(3-bromophenyl)-3,3-difluorocyclopentan-1-amine
CID 115051018
4-(3-bromophenyl)bicyclo[2.2.2]octane-1-carboxylic acid
CID 59610207

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(3-bromophenyl)cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-amino-1-(3-bromophenyl)cyclohexa-2,4-diene-1-carboxamide (CID 70178928) is 6-amino-1-(3-bromophenyl)cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-amino-1-(3-bromophenyl)cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-amino-1-(3-bromophenyl)cyclohexa-2,4-diene-1-carboxamide is NC(=O)C1(c2cccc(Br)c2)C=CC=CC1N.
What is the InChIKey of 6-amino-1-(3-bromophenyl)cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is XYMIHEIMPBYNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c14-10-5-3-4-9(8-10)13(12(16)17)7-2-1-6-11(13)15/h1-8,11H,15H2,(H2,16,17).
What are the key properties of 6-amino-1-(3-bromophenyl)cyclohexa-2,4-diene-1-carboxamide?
6-amino-1-(3-bromophenyl)cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 293.16 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(3-bromophenyl)cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 70178928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).