N-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-hydroxyoctanediamide

C18H25BrN2O3 — CID 155181426

IUPACN-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-hydroxyoctanediamide
SMILESO=C(CCCCCCC(=O)NC1CCCc2cc(Br)ccc21)NO
InChIInChI=1S/C18H25BrN2O3/c19-14-10-11-15-13(12-14)6-5-7-16(15)20-17(22)8-3-1-2-4-9-18(23)21-24/h10-12,16,24H,1-9H2,(H,20,22)(H,21,23)
InChIKeyZCWDHTDQDQEBLB-UHFFFAOYSA-N
MW397.31 g/mol
LogP3.79
Rot. Bonds8

About N-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-hydroxyoctanediamide

N-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-hydroxyoctanediamide (PubChem CID 155181426) has the molecular formula C18H25BrN2O3 and a molecular weight of 397.31 g/mol. Its IUPAC name is N-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-hydroxyoctanediamide.

Molecular Properties

Compound NameN-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-hydroxyoctanediamide
PubChem CID155181426
Molecular FormulaC18H25BrN2O3
Molecular Weight397.31 g/mol
Exact Mass396.10
IUPAC NameN-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-hydroxyoctanediamide
SMILESO=C(CCCCCCC(=O)NC1CCCc2cc(Br)ccc21)NO
InChIInChI=1S/C18H25BrN2O3/c19-14-10-11-15-13(12-14)6-5-7-16(15)20-17(22)8-3-1-2-4-9-18(23)21-24/h10-12,16,24H,1-9H2,(H,20,22)(H,21,23)
InChIKeyZCWDHTDQDQEBLB-UHFFFAOYSA-N
XLogP3.79
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.31
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamic acid
CID 118139241
N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-N'-(oxan-2-yloxy)octanediamide
CID 164771797
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 103601650
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
CID 23624795
4-chloro-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 129365353
6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83912581
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 60605486
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 54924290
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(dimethylamino)propanamide
CID 116649806
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-bromobenzoate
CID 2363460
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51142666

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-hydroxyoctanediamide?
The IUPAC name of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-hydroxyoctanediamide (CID 155181426) is N-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-hydroxyoctanediamide.
What is the SMILES notation for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-hydroxyoctanediamide?
The canonical SMILES for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-hydroxyoctanediamide is O=C(CCCCCCC(=O)NC1CCCc2cc(Br)ccc21)NO.
What is the InChIKey of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-hydroxyoctanediamide?
The InChIKey is ZCWDHTDQDQEBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O3/c19-14-10-11-15-13(12-14)6-5-7-16(15)20-17(22)8-3-1-2-4-9-18(23)21-24/h10-12,16,24H,1-9H2,(H,20,22)(H,21,23).
What are the key properties of N-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-hydroxyoctanediamide?
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-hydroxyoctanediamide has a molecular weight of 397.31 g/mol, XLogP of 3.79, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-hydroxyoctanediamide is sourced from PubChem (CID 155181426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).