N-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide

C13H15BrClNO — CID 81272184

IUPACN-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide
SMILESO=C(Nc1cc(Cl)ccc1Br)C1CCCCC1
InChIInChI=1S/C13H15BrClNO/c14-11-7-6-10(15)8-12(11)16-13(17)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,16,17)
InChIKeySWYMOMNXFRALRZ-UHFFFAOYSA-N
MW316.63 g/mol
LogP4.62
Rot. Bonds2

About N-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide

N-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide (PubChem CID 81272184) has the molecular formula C13H15BrClNO and a molecular weight of 316.63 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide
PubChem CID81272184
Molecular FormulaC13H15BrClNO
Molecular Weight316.63 g/mol
Exact Mass315.00
IUPAC NameN-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide
SMILESO=C(Nc1cc(Cl)ccc1Br)C1CCCCC1
InChIInChI=1S/C13H15BrClNO/c14-11-7-6-10(15)8-12(11)16-13(17)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,16,17)
InChIKeySWYMOMNXFRALRZ-UHFFFAOYSA-N
XLogP4.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.63
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 81272636
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N-(4-chloro-2-iodophenyl)cyclooctanecarboxamide
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N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide
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N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide
CID 81272173
4-bromo-3-(cyclobutanecarbonylamino)benzoic acid
CID 107812424
N-(2-bromo-5-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 81271769
N-(2-bromophenyl)cyclopentanecarboxamide
CID 1228174
(E)-3-[4-bromo-3-(cyclohexanecarbonylamino)phenyl]prop-2-enoic acid
CID 91688673
N-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetamide
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N-(3-amino-4-bromophenyl)cyclohexanecarboxamide
CID 79767895

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide (CID 81272184) is N-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide is O=C(Nc1cc(Cl)ccc1Br)C1CCCCC1.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide?
The InChIKey is SWYMOMNXFRALRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO/c14-11-7-6-10(15)8-12(11)16-13(17)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,16,17).
What are the key properties of N-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide?
N-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide has a molecular weight of 316.63 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide is sourced from PubChem (CID 81272184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).