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

C16H21BrClNO — CID 100537060

IUPAC5-bromo-2-chloro-N-(2-cycloheptylethyl)benzamide
SMILESO=C(NCCC1CCCCCC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C16H21BrClNO/c17-13-7-8-15(18)14(11-13)16(20)19-10-9-12-5-3-1-2-4-6-12/h7-8,11-12H,1-6,9-10H2,(H,19,20)
InChIKeyFLKOLGMAHCTCKJ-UHFFFAOYSA-N
MW358.71 g/mol
LogP5.19
Rot. Bonds4

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

5-bromo-2-chloro-N-(2-cycloheptylethyl)benzamide (PubChem CID 100537060) has the molecular formula C16H21BrClNO and a molecular weight of 358.71 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-cycloheptylethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-cycloheptylethyl)benzamide
PubChem CID100537060
Molecular FormulaC16H21BrClNO
Molecular Weight358.71 g/mol
Exact Mass357.05
IUPAC Name5-bromo-2-chloro-N-(2-cycloheptylethyl)benzamide
SMILESO=C(NCCC1CCCCCC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C16H21BrClNO/c17-13-7-8-15(18)14(11-13)16(20)19-10-9-12-5-3-1-2-4-6-12/h7-8,11-12H,1-6,9-10H2,(H,19,20)
InChIKeyFLKOLGMAHCTCKJ-UHFFFAOYSA-N
XLogP5.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.71
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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5-bromo-2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)benzamide
CID 90499338
2,5-dibromo-N-[2-(4-methylcyclohexyl)ethyl]benzamide
CID 114372404
2-amino-3-chloro-N-(2-cyclohexylethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-cycloheptylethyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(2-cycloheptylethyl)benzamide (CID 100537060) is 5-bromo-2-chloro-N-(2-cycloheptylethyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-cycloheptylethyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2-cycloheptylethyl)benzamide is O=C(NCCC1CCCCCC1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2-cycloheptylethyl)benzamide?
The InChIKey is FLKOLGMAHCTCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrClNO/c17-13-7-8-15(18)14(11-13)16(20)19-10-9-12-5-3-1-2-4-6-12/h7-8,11-12H,1-6,9-10H2,(H,19,20).
What are the key properties of 5-bromo-2-chloro-N-(2-cycloheptylethyl)benzamide?
5-bromo-2-chloro-N-(2-cycloheptylethyl)benzamide has a molecular weight of 358.71 g/mol, XLogP of 5.19, 4 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-(2-cycloheptylethyl)benzamide is sourced from PubChem (CID 100537060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).