N-(7-bromo-2-methoxynaphthalen-1-yl)prop-2-enamide

C14H12BrNO2 — CID 162527254

IUPACN-(7-bromo-2-methoxynaphthalen-1-yl)prop-2-enamide
SMILESC=CC(=O)Nc1c(OC)ccc2ccc(Br)cc12
InChIInChI=1S/C14H12BrNO2/c1-3-13(17)16-14-11-8-10(15)6-4-9(11)5-7-12(14)18-2/h3-8H,1H2,2H3,(H,16,17)
InChIKeyICJMSRGTBBBUAJ-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.74
Rot. Bonds3

About N-(7-bromo-2-methoxynaphthalen-1-yl)prop-2-enamide

N-(7-bromo-2-methoxynaphthalen-1-yl)prop-2-enamide (PubChem CID 162527254) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is N-(7-bromo-2-methoxynaphthalen-1-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(7-bromo-2-methoxynaphthalen-1-yl)prop-2-enamide
PubChem CID162527254
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC NameN-(7-bromo-2-methoxynaphthalen-1-yl)prop-2-enamide
SMILESC=CC(=O)Nc1c(OC)ccc2ccc(Br)cc12
InChIInChI=1S/C14H12BrNO2/c1-3-13(17)16-14-11-8-10(15)6-4-9(11)5-7-12(14)18-2/h3-8H,1H2,2H3,(H,16,17)
InChIKeyICJMSRGTBBBUAJ-UHFFFAOYSA-N
XLogP3.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-bromonaphthalen-2-yl)prop-2-enamide
CID 81259787
N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 881958
N-(5-bromo-2-methoxyphenyl)-2-oxoacetamide
CID 12532225
N-(4-bromo-2-methylphenyl)prop-2-enamide
CID 43134251
N-[2,4,6-trimethoxy-3-[4-methoxy-3-(prop-2-ynylamino)phenyl]phenyl]prop-2-enamide
CID 140901091
4-[(5-bromo-2-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 115163690
N-[(5-bromo-2-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 115167838
4-methoxy-3-(prop-2-enoylamino)benzoic acid
CID 63742238
5-[(6-bromo-2-methoxynaphthalen-1-yl)methylamino]-5-oxopentanoic acid
CID 3484079
4-(5-bromo-2-methoxyphenyl)sulfanyl-N-carbamoylbutanamide
CID 122142252
N-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide
CID 174817495
methyl N-[(5-bromo-2-methoxyphenyl)methyl]carbamate
CID 110780679

Frequently Asked Questions

What is the IUPAC name of N-(7-bromo-2-methoxynaphthalen-1-yl)prop-2-enamide?
The IUPAC name of N-(7-bromo-2-methoxynaphthalen-1-yl)prop-2-enamide (CID 162527254) is N-(7-bromo-2-methoxynaphthalen-1-yl)prop-2-enamide.
What is the SMILES notation for N-(7-bromo-2-methoxynaphthalen-1-yl)prop-2-enamide?
The canonical SMILES for N-(7-bromo-2-methoxynaphthalen-1-yl)prop-2-enamide is C=CC(=O)Nc1c(OC)ccc2ccc(Br)cc12.
What is the InChIKey of N-(7-bromo-2-methoxynaphthalen-1-yl)prop-2-enamide?
The InChIKey is ICJMSRGTBBBUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-3-13(17)16-14-11-8-10(15)6-4-9(11)5-7-12(14)18-2/h3-8H,1H2,2H3,(H,16,17).
What are the key properties of N-(7-bromo-2-methoxynaphthalen-1-yl)prop-2-enamide?
N-(7-bromo-2-methoxynaphthalen-1-yl)prop-2-enamide has a molecular weight of 306.16 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bromo-2-methoxynaphthalen-1-yl)prop-2-enamide is sourced from PubChem (CID 162527254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).