N-(2-bromophenyl)bicyclo[4.1.0]heptane-7-carboxamide

C14H16BrNO — CID 79260937

IUPACN-(2-bromophenyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(Nc1ccccc1Br)C1C2CCCCC21
InChIInChI=1S/C14H16BrNO/c15-11-7-3-4-8-12(11)16-14(17)13-9-5-1-2-6-10(9)13/h3-4,7-10,13H,1-2,5-6H2,(H,16,17)
InChIKeyYKKFEAQSKJIDSG-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.82
Rot. Bonds2

About N-(2-bromophenyl)bicyclo[4.1.0]heptane-7-carboxamide

N-(2-bromophenyl)bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 79260937) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is N-(2-bromophenyl)bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID79260937
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC NameN-(2-bromophenyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(Nc1ccccc1Br)C1C2CCCCC21
InChIInChI=1S/C14H16BrNO/c15-11-7-3-4-8-12(11)16-14(17)13-9-5-1-2-6-10(9)13/h3-4,7-10,13H,1-2,5-6H2,(H,16,17)
InChIKeyYKKFEAQSKJIDSG-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromophenyl)cyclopentanecarboxamide
CID 1228174
(1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 796671
(1R,6R)-N-[5-[[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]naphthalen-1-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99646705
(1R,2S,4S,5R)-N-(2-bromophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98187162
N-(2-bromophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 47244785
trans-(1R,2R)-2-[(2-bromophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 7429966
N-(2-bromophenyl)oxane-2-carboxamide
CID 62214619
N-(2-bromophenyl)piperidine-2-carboxamide
CID 18071832
(1R,2R,3S,4S)-3-[(2-bromophenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 18557998
1-N-(2-bromophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132141
N-(2-bromophenyl)-2-cyclopentylacetamide
CID 24707693
1-(2-bromophenyl)-3-cycloheptylurea
CID 3671520

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-(2-bromophenyl)bicyclo[4.1.0]heptane-7-carboxamide (CID 79260937) is N-(2-bromophenyl)bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-(2-bromophenyl)bicyclo[4.1.0]heptane-7-carboxamide is O=C(Nc1ccccc1Br)C1C2CCCCC21.
What is the InChIKey of N-(2-bromophenyl)bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is YKKFEAQSKJIDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c15-11-7-3-4-8-12(11)16-14(17)13-9-5-1-2-6-10(9)13/h3-4,7-10,13H,1-2,5-6H2,(H,16,17).
What are the key properties of N-(2-bromophenyl)bicyclo[4.1.0]heptane-7-carboxamide?
N-(2-bromophenyl)bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 294.19 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 79260937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).