1-[[2-(3-bromophenoxy)acetyl]amino]cyclohexane-1-carboxamide

C15H19BrN2O3 — CID 78903343

IUPAC1-[[2-(3-bromophenoxy)acetyl]amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1(NC(=O)COc2cccc(Br)c2)CCCCC1
InChIInChI=1S/C15H19BrN2O3/c16-11-5-4-6-12(9-11)21-10-13(19)18-15(14(17)20)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10H2,(H2,17,20)(H,18,19)
InChIKeyYEOVREFLPQLSPJ-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.13
Rot. Bonds5

About 1-[[2-(3-bromophenoxy)acetyl]amino]cyclohexane-1-carboxamide

1-[[2-(3-bromophenoxy)acetyl]amino]cyclohexane-1-carboxamide (PubChem CID 78903343) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 1-[[2-(3-bromophenoxy)acetyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[[2-(3-bromophenoxy)acetyl]amino]cyclohexane-1-carboxamide
PubChem CID78903343
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name1-[[2-(3-bromophenoxy)acetyl]amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1(NC(=O)COc2cccc(Br)c2)CCCCC1
InChIInChI=1S/C15H19BrN2O3/c16-11-5-4-6-12(9-11)21-10-13(19)18-15(14(17)20)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10H2,(H2,17,20)(H,18,19)
InChIKeyYEOVREFLPQLSPJ-UHFFFAOYSA-N
XLogP2.13
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[2-(3-bromophenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 79848711
1-[[2-(4-propoxyphenoxy)acetyl]amino]cyclohexane-1-carboxamide
CID 78881239
1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43239141
N-(1-carbamothioylcyclopentyl)-2-phenoxyacetamide
CID 61118930
2-(3-bromophenoxy)-N-methoxyacetamide
CID 60700558
1-[(3-bromophenoxy)methyl]cyclohexan-1-amine
CID 84715280
2-(3-bromophenoxy)-N-(cyclododecylideneamino)acetamide
CID 4598925
1-(3-bromophenoxy)cyclopentane-1-carboxamide
CID 82134789
2-(3-bromophenyl)-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]acetamide
CID 76931291
2-(3-bromophenoxy)-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 65119112
N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenoxy)acetamide
CID 61118939
2-(3-aminophenoxy)-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 65103467

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-bromophenoxy)acetyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of 1-[[2-(3-bromophenoxy)acetyl]amino]cyclohexane-1-carboxamide (CID 78903343) is 1-[[2-(3-bromophenoxy)acetyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[[2-(3-bromophenoxy)acetyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[[2-(3-bromophenoxy)acetyl]amino]cyclohexane-1-carboxamide is NC(=O)C1(NC(=O)COc2cccc(Br)c2)CCCCC1.
What is the InChIKey of 1-[[2-(3-bromophenoxy)acetyl]amino]cyclohexane-1-carboxamide?
The InChIKey is YEOVREFLPQLSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c16-11-5-4-6-12(9-11)21-10-13(19)18-15(14(17)20)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10H2,(H2,17,20)(H,18,19).
What are the key properties of 1-[[2-(3-bromophenoxy)acetyl]amino]cyclohexane-1-carboxamide?
1-[[2-(3-bromophenoxy)acetyl]amino]cyclohexane-1-carboxamide has a molecular weight of 355.23 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-bromophenoxy)acetyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 78903343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).