N-(5-bromonaphthalen-1-yl)formamide

C11H8BrNO — CID 168652546

IUPACN-(5-bromonaphthalen-1-yl)formamide
SMILESO=CNc1cccc2c(Br)cccc12
InChIInChI=1S/C11H8BrNO/c12-10-5-1-4-9-8(10)3-2-6-11(9)13-7-14/h1-7H,(H,13,14)
InChIKeyOENKHEXBGDRXFY-UHFFFAOYSA-N
MW250.10 g/mol
LogP3.17
Rot. Bonds2

About N-(5-bromonaphthalen-1-yl)formamide

N-(5-bromonaphthalen-1-yl)formamide (PubChem CID 168652546) has the molecular formula C11H8BrNO and a molecular weight of 250.10 g/mol. Its IUPAC name is N-(5-bromonaphthalen-1-yl)formamide.

Molecular Properties

Compound NameN-(5-bromonaphthalen-1-yl)formamide
PubChem CID168652546
Molecular FormulaC11H8BrNO
Molecular Weight250.10 g/mol
Exact Mass248.98
IUPAC NameN-(5-bromonaphthalen-1-yl)formamide
SMILESO=CNc1cccc2c(Br)cccc12
InChIInChI=1S/C11H8BrNO/c12-10-5-1-4-9-8(10)3-2-6-11(9)13-7-14/h1-7H,(H,13,14)
InChIKeyOENKHEXBGDRXFY-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromophenyl)formamide
CID 817914
N-(2-bromophenyl)formamide;hydrochloride
CID 121229289
N-(2-bromo-3-chlorophenyl)formamide
CID 103480075
cesium;methylazanide;N-naphthalen-1-ylformamide
CID 145326564
methyl 2-bromo-6-formamidobenzoate
CID 177168055
N-(4-methylnaphthalen-1-yl)formamide
CID 72513878
hydron;N-(1H-indol-4-yl)formamide
CID 174907409
N-(4-bromo-2-methoxy-3-methylphenyl)formamide
CID 168654128
N-(9H-carbazol-4-yl)formamide
CID 174728433
1-bromonaphthalene;formic acid
CID 174427536
5-(5-bromonaphthalen-1-yl)furan-2-carbaldehyde
CID 169331923
N-acridin-1-ylformamide
CID 174650417

Frequently Asked Questions

What is the IUPAC name of N-(5-bromonaphthalen-1-yl)formamide?
The IUPAC name of N-(5-bromonaphthalen-1-yl)formamide (CID 168652546) is N-(5-bromonaphthalen-1-yl)formamide.
What is the SMILES notation for N-(5-bromonaphthalen-1-yl)formamide?
The canonical SMILES for N-(5-bromonaphthalen-1-yl)formamide is O=CNc1cccc2c(Br)cccc12.
What is the InChIKey of N-(5-bromonaphthalen-1-yl)formamide?
The InChIKey is OENKHEXBGDRXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO/c12-10-5-1-4-9-8(10)3-2-6-11(9)13-7-14/h1-7H,(H,13,14).
What are the key properties of N-(5-bromonaphthalen-1-yl)formamide?
N-(5-bromonaphthalen-1-yl)formamide has a molecular weight of 250.10 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromonaphthalen-1-yl)formamide is sourced from PubChem (CID 168652546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).