2,4-dibromo-N-(2-chlorocycloheptyl)benzamide

C14H16Br2ClNO — CID 107941355

IUPAC2,4-dibromo-N-(2-chlorocycloheptyl)benzamide
SMILESO=C(NC1CCCCCC1Cl)c1ccc(Br)cc1Br
InChIInChI=1S/C14H16Br2ClNO/c15-9-6-7-10(11(16)8-9)14(19)18-13-5-3-1-2-4-12(13)17/h6-8,12-13H,1-5H2,(H,18,19)
InChIKeyVLRAFVYSCRKDRS-UHFFFAOYSA-N
MW409.55 g/mol
LogP4.88
Rot. Bonds2

About 2,4-dibromo-N-(2-chlorocycloheptyl)benzamide

2,4-dibromo-N-(2-chlorocycloheptyl)benzamide (PubChem CID 107941355) has the molecular formula C14H16Br2ClNO and a molecular weight of 409.55 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-chlorocycloheptyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2-chlorocycloheptyl)benzamide
PubChem CID107941355
Molecular FormulaC14H16Br2ClNO
Molecular Weight409.55 g/mol
Exact Mass406.93
IUPAC Name2,4-dibromo-N-(2-chlorocycloheptyl)benzamide
SMILESO=C(NC1CCCCCC1Cl)c1ccc(Br)cc1Br
InChIInChI=1S/C14H16Br2ClNO/c15-9-6-7-10(11(16)8-9)14(19)18-13-5-3-1-2-4-12(13)17/h6-8,12-13H,1-5H2,(H,18,19)
InChIKeyVLRAFVYSCRKDRS-UHFFFAOYSA-N
XLogP4.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(2-chlorocycloheptyl)-2-methylbenzamide
CID 113395058
2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide
CID 107939682
4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide
CID 113272606
5-bromo-N-(2-chlorocyclohexyl)-2-fluorobenzamide
CID 114301350
2-bromo-N-(2-chlorocyclopentyl)-4-fluorobenzamide
CID 106444049
2-bromo-N-(2-chlorocyclohexyl)benzamide
CID 114301050
2-[(2,4-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107938073
N-[2-(aminomethyl)cyclohexyl]-2,4-dibromobenzamide
CID 107940016
2,4-dibromo-N-(4-chlorocyclohexyl)benzamide
CID 107941133
5-bromo-N-(2-chlorocycloheptyl)pyridine-2-carboxamide
CID 113395079
2,4-dibromo-N-(2-carbamothioylcyclopentyl)benzamide
CID 107938989
4-chloro-N-(2-chlorocyclohexyl)-2-hydroxybenzamide
CID 113272580

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-chlorocycloheptyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(2-chlorocycloheptyl)benzamide (CID 107941355) is 2,4-dibromo-N-(2-chlorocycloheptyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(2-chlorocycloheptyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(2-chlorocycloheptyl)benzamide is O=C(NC1CCCCCC1Cl)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(2-chlorocycloheptyl)benzamide?
The InChIKey is VLRAFVYSCRKDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2ClNO/c15-9-6-7-10(11(16)8-9)14(19)18-13-5-3-1-2-4-12(13)17/h6-8,12-13H,1-5H2,(H,18,19).
What are the key properties of 2,4-dibromo-N-(2-chlorocycloheptyl)benzamide?
2,4-dibromo-N-(2-chlorocycloheptyl)benzamide has a molecular weight of 409.55 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2-chlorocycloheptyl)benzamide is sourced from PubChem (CID 107941355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).