N-(6-bromonaphthalen-2-yl)prop-2-enamide

C13H10BrNO — CID 81259787

IUPACN-(6-bromonaphthalen-2-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C13H10BrNO/c1-2-13(16)15-12-6-4-9-7-11(14)5-3-10(9)8-12/h2-8H,1H2,(H,15,16)
InChIKeyDJVBDYIPOGUSHZ-UHFFFAOYSA-N
MW276.13 g/mol
LogP3.73
Rot. Bonds2

About N-(6-bromonaphthalen-2-yl)prop-2-enamide

N-(6-bromonaphthalen-2-yl)prop-2-enamide (PubChem CID 81259787) has the molecular formula C13H10BrNO and a molecular weight of 276.13 g/mol. Its IUPAC name is N-(6-bromonaphthalen-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(6-bromonaphthalen-2-yl)prop-2-enamide
PubChem CID81259787
Molecular FormulaC13H10BrNO
Molecular Weight276.13 g/mol
Exact Mass274.99
IUPAC NameN-(6-bromonaphthalen-2-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C13H10BrNO/c1-2-13(16)15-12-6-4-9-7-11(14)5-3-10(9)8-12/h2-8H,1H2,(H,15,16)
InChIKeyDJVBDYIPOGUSHZ-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2H-isoindol-5-yl)prop-2-enamide
CID 164518553
N-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide
CID 81260371
methyl 2-[(6-bromonaphthalen-2-yl)amino]-2-oxoacetate
CID 112617488
N-(4-amino-3-methylphenyl)prop-2-enamide
CID 90104581
N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide
CID 162526691
N-(1H-indol-6-yl)prop-2-enamide
CID 125475014
N-(1H-indol-5-yl)prop-2-enamide
CID 61251524
N-(6-bromonaphthalen-2-yl)but-2-ynamide
CID 107987946
N-(4-bromo-2-methylphenyl)prop-2-enamide
CID 43134251
N-(6-bromonaphthalen-2-yl)-3-methylbutanamide
CID 81259381
N-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 13411359
N-(6-bromonaphthalen-2-yl)-2-cyclopropylacetamide
CID 81004000

Frequently Asked Questions

What is the IUPAC name of N-(6-bromonaphthalen-2-yl)prop-2-enamide?
The IUPAC name of N-(6-bromonaphthalen-2-yl)prop-2-enamide (CID 81259787) is N-(6-bromonaphthalen-2-yl)prop-2-enamide.
What is the SMILES notation for N-(6-bromonaphthalen-2-yl)prop-2-enamide?
The canonical SMILES for N-(6-bromonaphthalen-2-yl)prop-2-enamide is C=CC(=O)Nc1ccc2cc(Br)ccc2c1.
What is the InChIKey of N-(6-bromonaphthalen-2-yl)prop-2-enamide?
The InChIKey is DJVBDYIPOGUSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO/c1-2-13(16)15-12-6-4-9-7-11(14)5-3-10(9)8-12/h2-8H,1H2,(H,15,16).
What are the key properties of N-(6-bromonaphthalen-2-yl)prop-2-enamide?
N-(6-bromonaphthalen-2-yl)prop-2-enamide has a molecular weight of 276.13 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromonaphthalen-2-yl)prop-2-enamide is sourced from PubChem (CID 81259787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).