N-(4-amino-2,6-dibromophenyl)cycloheptanecarboxamide

C14H18Br2N2O — CID 62586302

IUPACN-(4-amino-2,6-dibromophenyl)cycloheptanecarboxamide
SMILESNc1cc(Br)c(NC(=O)C2CCCCCC2)c(Br)c1
InChIInChI=1S/C14H18Br2N2O/c15-11-7-10(17)8-12(16)13(11)18-14(19)9-5-3-1-2-4-6-9/h7-9H,1-6,17H2,(H,18,19)
InChIKeyOQAVKIKYDTUFIS-UHFFFAOYSA-N
MW390.12 g/mol
LogP4.70
Rot. Bonds2

About N-(4-amino-2,6-dibromophenyl)cycloheptanecarboxamide

N-(4-amino-2,6-dibromophenyl)cycloheptanecarboxamide (PubChem CID 62586302) has the molecular formula C14H18Br2N2O and a molecular weight of 390.12 g/mol. Its IUPAC name is N-(4-amino-2,6-dibromophenyl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dibromophenyl)cycloheptanecarboxamide
PubChem CID62586302
Molecular FormulaC14H18Br2N2O
Molecular Weight390.12 g/mol
Exact Mass387.98
IUPAC NameN-(4-amino-2,6-dibromophenyl)cycloheptanecarboxamide
SMILESNc1cc(Br)c(NC(=O)C2CCCCCC2)c(Br)c1
InChIInChI=1S/C14H18Br2N2O/c15-11-7-10(17)8-12(16)13(11)18-14(19)9-5-3-1-2-4-6-9/h7-9H,1-6,17H2,(H,18,19)
InChIKeyOQAVKIKYDTUFIS-UHFFFAOYSA-N
XLogP4.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.12
LogP ≤ 54.70
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-2,6-dibromophenyl)cyclopropanecarboxamide
CID 43549427
N-(4-amino-2-bromophenyl)cyclohexanecarboxamide
CID 1133414
N-(4-amino-2,6-dibromophenyl)oxolane-3-carboxamide
CID 61272365
3,5-dibromo-2-(cycloheptanecarbonylamino)benzoic acid
CID 63405452
N-(3-amino-4-bromophenyl)cyclohexanecarboxamide
CID 79767895
N-(4-amino-2-chloro-6-methylphenyl)cyclohexanecarboxamide
CID 100828283
N-(4-amino-2,6-dibromophenyl)azepane-1-carboxamide
CID 79151818
N-(4-amino-2,6-dibromophenyl)-2-methylcyclopropane-1-carboxamide
CID 43549410
N-(4-amino-3-bromophenyl)cycloheptanecarboxamide
CID 82861556
N-(4-amino-3-bromophenyl)cyclohexanecarboxamide
CID 82861844
N-(4-amino-2,6-dibromophenyl)-3-cyclopentylpropanamide
CID 43549384
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dibromophenyl)cycloheptanecarboxamide?
The IUPAC name of N-(4-amino-2,6-dibromophenyl)cycloheptanecarboxamide (CID 62586302) is N-(4-amino-2,6-dibromophenyl)cycloheptanecarboxamide.
What is the SMILES notation for N-(4-amino-2,6-dibromophenyl)cycloheptanecarboxamide?
The canonical SMILES for N-(4-amino-2,6-dibromophenyl)cycloheptanecarboxamide is Nc1cc(Br)c(NC(=O)C2CCCCCC2)c(Br)c1.
What is the InChIKey of N-(4-amino-2,6-dibromophenyl)cycloheptanecarboxamide?
The InChIKey is OQAVKIKYDTUFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O/c15-11-7-10(17)8-12(16)13(11)18-14(19)9-5-3-1-2-4-6-9/h7-9H,1-6,17H2,(H,18,19).
What are the key properties of N-(4-amino-2,6-dibromophenyl)cycloheptanecarboxamide?
N-(4-amino-2,6-dibromophenyl)cycloheptanecarboxamide has a molecular weight of 390.12 g/mol, XLogP of 4.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dibromophenyl)cycloheptanecarboxamide is sourced from PubChem (CID 62586302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).