N-(4-bromophenyl)-2-octylcyclopropane-1-carboxamide

C18H26BrNO — CID 171978642

IUPACN-(4-bromophenyl)-2-octylcyclopropane-1-carboxamide
SMILESCCCCCCCCC1CC1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H26BrNO/c1-2-3-4-5-6-7-8-14-13-17(14)18(21)20-16-11-9-15(19)10-12-16/h9-12,14,17H,2-8,13H2,1H3,(H,20,21)
InChIKeyXVZIEBJMCRUNSD-UHFFFAOYSA-N
MW352.32 g/mol
LogP5.77
Rot. Bonds9

About N-(4-bromophenyl)-2-octylcyclopropane-1-carboxamide

N-(4-bromophenyl)-2-octylcyclopropane-1-carboxamide (PubChem CID 171978642) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-octylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-octylcyclopropane-1-carboxamide
PubChem CID171978642
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC NameN-(4-bromophenyl)-2-octylcyclopropane-1-carboxamide
SMILESCCCCCCCCC1CC1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H26BrNO/c1-2-3-4-5-6-7-8-14-13-17(14)18(21)20-16-11-9-15(19)10-12-16/h9-12,14,17H,2-8,13H2,1H3,(H,20,21)
InChIKeyXVZIEBJMCRUNSD-UHFFFAOYSA-N
XLogP5.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.32
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-octyl-4-[[(1R,2R)-2-octylcyclopropanecarbonyl]amino]benzamide
CID 98044630
2-hydroxy-5-[(2-octylcyclopropanecarbonyl)amino]benzoic acid
CID 46500949
trans-(1S,2R)-N-(3-ethylphenyl)-2-octylcyclopropane-1-carboxamide
CID 98156017
cis-(1R,2R)-N-benzyl-2-octylcyclopropane-1-carboxamide
CID 98220206
cis-(1R,2R)-2-butyl-N-[5-[[(1R,2S)-2-butylcyclopropanecarbonyl]amino]naphthalen-1-yl]cyclopropane-1-carboxamide
CID 7430895
2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide
CID 64816780
N-(4-bromophenyl)-2-methoxycyclopropane-1-carboxamide
CID 164645796
1-N-(4-bromophenyl)-4-N-butyl-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109149942
2-amino-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670339
1-[(1S,2R)-2-tetradecylcyclopropyl]hexan-1-one
CID 101388120
trans-(1S,2R)-N-(4-chlorophenyl)-2-(3-methylbutyl)cyclopropane-1-carboxamide
CID 746777
4-N-(4-bromophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144381

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-octylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-octylcyclopropane-1-carboxamide (CID 171978642) is N-(4-bromophenyl)-2-octylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-octylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-octylcyclopropane-1-carboxamide is CCCCCCCCC1CC1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-octylcyclopropane-1-carboxamide?
The InChIKey is XVZIEBJMCRUNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO/c1-2-3-4-5-6-7-8-14-13-17(14)18(21)20-16-11-9-15(19)10-12-16/h9-12,14,17H,2-8,13H2,1H3,(H,20,21).
What are the key properties of N-(4-bromophenyl)-2-octylcyclopropane-1-carboxamide?
N-(4-bromophenyl)-2-octylcyclopropane-1-carboxamide has a molecular weight of 352.32 g/mol, XLogP of 5.77, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-octylcyclopropane-1-carboxamide is sourced from PubChem (CID 171978642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).