5-bromo-2-chloro-N-(cyclohexylmethyl)benzamide

C14H17BrClNO — CID 2547713

IUPAC5-bromo-2-chloro-N-(cyclohexylmethyl)benzamide
SMILESO=C(NCC1CCCCC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H17BrClNO/c15-11-6-7-13(16)12(8-11)14(18)17-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,17,18)
InChIKeyWTNNVTKVXWFDNQ-UHFFFAOYSA-N
MW330.65 g/mol
LogP4.41
Rot. Bonds3

About 5-bromo-2-chloro-N-(cyclohexylmethyl)benzamide

5-bromo-2-chloro-N-(cyclohexylmethyl)benzamide (PubChem CID 2547713) has the molecular formula C14H17BrClNO and a molecular weight of 330.65 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(cyclohexylmethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(cyclohexylmethyl)benzamide
PubChem CID2547713
Molecular FormulaC14H17BrClNO
Molecular Weight330.65 g/mol
Exact Mass329.02
IUPAC Name5-bromo-2-chloro-N-(cyclohexylmethyl)benzamide
SMILESO=C(NCC1CCCCC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H17BrClNO/c15-11-6-7-13(16)12(8-11)14(18)17-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,17,18)
InChIKeyWTNNVTKVXWFDNQ-UHFFFAOYSA-N
XLogP4.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.65
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(cyclohexylmethyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(cyclohexylmethyl)benzamide (CID 2547713) is 5-bromo-2-chloro-N-(cyclohexylmethyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(cyclohexylmethyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(cyclohexylmethyl)benzamide is O=C(NCC1CCCCC1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(cyclohexylmethyl)benzamide?
The InChIKey is WTNNVTKVXWFDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO/c15-11-6-7-13(16)12(8-11)14(18)17-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,17,18).
What are the key properties of 5-bromo-2-chloro-N-(cyclohexylmethyl)benzamide?
5-bromo-2-chloro-N-(cyclohexylmethyl)benzamide has a molecular weight of 330.65 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(cyclohexylmethyl)benzamide is sourced from PubChem (CID 2547713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).