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

C13H14Br2ClNO — CID 107941133

IUPAC2,4-dibromo-N-(4-chlorocyclohexyl)benzamide
SMILESO=C(NC1CCC(Cl)CC1)c1ccc(Br)cc1Br
InChIInChI=1S/C13H14Br2ClNO/c14-8-1-6-11(12(15)7-8)13(18)17-10-4-2-9(16)3-5-10/h1,6-7,9-10H,2-5H2,(H,17,18)
InChIKeyYIKLKJWBMZCZCO-UHFFFAOYSA-N
MW395.52 g/mol
LogP4.49
Rot. Bonds2

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

2,4-dibromo-N-(4-chlorocyclohexyl)benzamide (PubChem CID 107941133) has the molecular formula C13H14Br2ClNO and a molecular weight of 395.52 g/mol. Its IUPAC name is 2,4-dibromo-N-(4-chlorocyclohexyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(4-chlorocyclohexyl)benzamide
PubChem CID107941133
Molecular FormulaC13H14Br2ClNO
Molecular Weight395.52 g/mol
Exact Mass392.91
IUPAC Name2,4-dibromo-N-(4-chlorocyclohexyl)benzamide
SMILESO=C(NC1CCC(Cl)CC1)c1ccc(Br)cc1Br
InChIInChI=1S/C13H14Br2ClNO/c14-8-1-6-11(12(15)7-8)13(18)17-10-4-2-9(16)3-5-10/h1,6-7,9-10H,2-5H2,(H,17,18)
InChIKeyYIKLKJWBMZCZCO-UHFFFAOYSA-N
XLogP4.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromo-N-(oxan-4-yl)benzamide
CID 103882568
2,4-dibromo-N-(4,4-dimethylcyclohexyl)benzamide
CID 107952478
2,4-dibromo-N-(1-oxothian-4-yl)benzamide
CID 104580877
2,4-dibromo-N-(3-hydroxycyclobutyl)benzamide
CID 107939661
2,4-dibromo-N-(2-chlorocycloheptyl)benzamide
CID 107941355
2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide
CID 113271719
2,4-dibromo-N-(1-methylpiperidin-3-yl)benzamide
CID 103882624
5-bromo-2-chloro-N-cyclopentylbenzamide
CID 2953820
N-(4-chlorocyclohexyl)-2,4-dihydroxybenzamide
CID 107725924
4-bromo-2-fluoro-N-(4-hydroxycyclohexyl)benzamide
CID 24694578
2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide
CID 107939682
N-(4-aminocyclohexyl)-4-bromo-2-hydroxybenzamide
CID 55038314

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(4-chlorocyclohexyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(4-chlorocyclohexyl)benzamide (CID 107941133) is 2,4-dibromo-N-(4-chlorocyclohexyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(4-chlorocyclohexyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(4-chlorocyclohexyl)benzamide is O=C(NC1CCC(Cl)CC1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(4-chlorocyclohexyl)benzamide?
The InChIKey is YIKLKJWBMZCZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2ClNO/c14-8-1-6-11(12(15)7-8)13(18)17-10-4-2-9(16)3-5-10/h1,6-7,9-10H,2-5H2,(H,17,18).
What are the key properties of 2,4-dibromo-N-(4-chlorocyclohexyl)benzamide?
2,4-dibromo-N-(4-chlorocyclohexyl)benzamide has a molecular weight of 395.52 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(4-chlorocyclohexyl)benzamide is sourced from PubChem (CID 107941133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).