4-bromo-N-(4-bromocyclohexyl)benzamide

C13H15Br2NO — CID 114309063

IUPAC4-bromo-N-(4-bromocyclohexyl)benzamide
SMILESO=C(NC1CCC(Br)CC1)c1ccc(Br)cc1
InChIInChI=1S/C13H15Br2NO/c14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12/h1-4,11-12H,5-8H2,(H,16,17)
InChIKeyLGKRDPFRGNIXHL-UHFFFAOYSA-N
MW361.08 g/mol
LogP3.88
Rot. Bonds2

About 4-bromo-N-(4-bromocyclohexyl)benzamide

4-bromo-N-(4-bromocyclohexyl)benzamide (PubChem CID 114309063) has the molecular formula C13H15Br2NO and a molecular weight of 361.08 g/mol. Its IUPAC name is 4-bromo-N-(4-bromocyclohexyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(4-bromocyclohexyl)benzamide
PubChem CID114309063
Molecular FormulaC13H15Br2NO
Molecular Weight361.08 g/mol
Exact Mass358.95
IUPAC Name4-bromo-N-(4-bromocyclohexyl)benzamide
SMILESO=C(NC1CCC(Br)CC1)c1ccc(Br)cc1
InChIInChI=1S/C13H15Br2NO/c14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12/h1-4,11-12H,5-8H2,(H,16,17)
InChIKeyLGKRDPFRGNIXHL-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.08
LogP ≤ 53.88
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

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CID 2843132
4-bromo-N-cyclooctylbenzamide
CID 902872
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CID 115617198
4-bromo-N-(4-bromocyclohexyl)-3-hydroxybenzamide
CID 114103962
4-bromo-N-[2-(cyclopropylcarbamoylamino)ethyl]benzamide
CID 47322636
4-bromo-N-(4-bromocyclohexyl)-3-(trifluoromethyl)benzamide
CID 114309058
4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453836
N-(3-bromocyclopentyl)benzamide
CID 175209749
4-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7083020
N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
CID 114309034
2-[(4-bromobenzoyl)amino]-N-cyclopropylbenzamide
CID 7729400
4-bromo-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542222

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromocyclohexyl)benzamide?
The IUPAC name of 4-bromo-N-(4-bromocyclohexyl)benzamide (CID 114309063) is 4-bromo-N-(4-bromocyclohexyl)benzamide.
What is the SMILES notation for 4-bromo-N-(4-bromocyclohexyl)benzamide?
The canonical SMILES for 4-bromo-N-(4-bromocyclohexyl)benzamide is O=C(NC1CCC(Br)CC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(4-bromocyclohexyl)benzamide?
The InChIKey is LGKRDPFRGNIXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2NO/c14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12/h1-4,11-12H,5-8H2,(H,16,17).
What are the key properties of 4-bromo-N-(4-bromocyclohexyl)benzamide?
4-bromo-N-(4-bromocyclohexyl)benzamide has a molecular weight of 361.08 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-bromocyclohexyl)benzamide is sourced from PubChem (CID 114309063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).