N-(2-bromocyclohexyl)cycloheptanecarboxamide

C14H24BrNO — CID 114311963

IUPACN-(2-bromocyclohexyl)cycloheptanecarboxamide
SMILESO=C(NC1CCCCC1Br)C1CCCCCC1
InChIInChI=1S/C14H24BrNO/c15-12-9-5-6-10-13(12)16-14(17)11-7-3-1-2-4-8-11/h11-13H,1-10H2,(H,16,17)
InChIKeyGOSDFIJWGKLRJL-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.78
Rot. Bonds2

About N-(2-bromocyclohexyl)cycloheptanecarboxamide

N-(2-bromocyclohexyl)cycloheptanecarboxamide (PubChem CID 114311963) has the molecular formula C14H24BrNO and a molecular weight of 302.26 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)cycloheptanecarboxamide
PubChem CID114311963
Molecular FormulaC14H24BrNO
Molecular Weight302.26 g/mol
Exact Mass301.10
IUPAC NameN-(2-bromocyclohexyl)cycloheptanecarboxamide
SMILESO=C(NC1CCCCC1Br)C1CCCCCC1
InChIInChI=1S/C14H24BrNO/c15-12-9-5-6-10-13(12)16-14(17)11-7-3-1-2-4-8-11/h11-13H,1-10H2,(H,16,17)
InChIKeyGOSDFIJWGKLRJL-UHFFFAOYSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-bromocyclohexyl)cycloheptanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(cyclooctanecarbonylamino)cyclohexyl]cyclooctanecarboxamide
CID 171722262
N-(2-aminocyclopropyl)cyclohexanecarboxamide
CID 43593715
N-[(1S,2S)-2-hydroxycyclooctyl]cyclopropanecarboxamide
CID 146041512
N-[2-(hydroxymethyl)cyclohexyl]cyclooctanecarboxamide
CID 103860474
2-(cyclopentanecarbonylamino)cyclopentane-1-carboxylic acid
CID 64814347
N-(2-aminocyclopentyl)cyclopentanecarboxamide
CID 63251373
N-[(3S,4S)-4-(cyclohexanecarbonylamino)-1,1-dioxothiolan-3-yl]cyclohexanecarboxamide
CID 100825397
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cyclopropylcyclohexanecarboxamide
CID 3412875
N-cyclodecylcyclododecanecarboxamide
CID 135182352
4-sulfanyl-N-[2-[(4-sulfanylcyclohexanecarbonyl)amino]cyclohexyl]cyclohexane-1-carboxamide
CID 171722592

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)cycloheptanecarboxamide?
The IUPAC name of N-(2-bromocyclohexyl)cycloheptanecarboxamide (CID 114311963) is N-(2-bromocyclohexyl)cycloheptanecarboxamide.
What is the SMILES notation for N-(2-bromocyclohexyl)cycloheptanecarboxamide?
The canonical SMILES for N-(2-bromocyclohexyl)cycloheptanecarboxamide is O=C(NC1CCCCC1Br)C1CCCCCC1.
What is the InChIKey of N-(2-bromocyclohexyl)cycloheptanecarboxamide?
The InChIKey is GOSDFIJWGKLRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNO/c15-12-9-5-6-10-13(12)16-14(17)11-7-3-1-2-4-8-11/h11-13H,1-10H2,(H,16,17).
What are the key properties of N-(2-bromocyclohexyl)cycloheptanecarboxamide?
N-(2-bromocyclohexyl)cycloheptanecarboxamide has a molecular weight of 302.26 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)cycloheptanecarboxamide is sourced from PubChem (CID 114311963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).