2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide

C14H17Br2NO2 — CID 107939682

IUPAC2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide
SMILESO=C(NC1CCCCCC1O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H17Br2NO2/c15-9-6-7-10(11(16)8-9)14(19)17-12-4-2-1-3-5-13(12)18/h6-8,12-13,18H,1-5H2,(H,17,19)
InChIKeyMCPQSOJPIISAFC-UHFFFAOYSA-N
MW391.10 g/mol
LogP3.63
Rot. Bonds2

About 2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide

2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide (PubChem CID 107939682) has the molecular formula C14H17Br2NO2 and a molecular weight of 391.10 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide
PubChem CID107939682
Molecular FormulaC14H17Br2NO2
Molecular Weight391.10 g/mol
Exact Mass388.96
IUPAC Name2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide
SMILESO=C(NC1CCCCCC1O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H17Br2NO2/c15-9-6-7-10(11(16)8-9)14(19)17-12-4-2-1-3-5-13(12)18/h6-8,12-13,18H,1-5H2,(H,17,19)
InChIKeyMCPQSOJPIISAFC-UHFFFAOYSA-N
XLogP3.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.10
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-(2-chlorocycloheptyl)benzamide
CID 107941355
2-amino-4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 107221910
5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927973
5-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzamide
CID 104956752
2-[(2,4-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107938073
N-[2-(aminomethyl)cyclohexyl]-2,4-dibromobenzamide
CID 107940016
2,4-dibromo-N-(3-hydroxycyclobutyl)benzamide
CID 107939661
2,4-dibromo-N-(2-carbamothioylcyclopentyl)benzamide
CID 107938989
4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 27109566
4-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 3294155
5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 62365234
3-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 40546214

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide (CID 107939682) is 2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide is O=C(NC1CCCCCC1O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide?
The InChIKey is MCPQSOJPIISAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2NO2/c15-9-6-7-10(11(16)8-9)14(19)17-12-4-2-1-3-5-13(12)18/h6-8,12-13,18H,1-5H2,(H,17,19).
What are the key properties of 2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide?
2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide has a molecular weight of 391.10 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide is sourced from PubChem (CID 107939682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).