N-(6-bromonaphthalen-2-yl)but-2-ynamide

C14H10BrNO — CID 107987946

IUPACN-(6-bromonaphthalen-2-yl)but-2-ynamide
SMILESCC#CC(=O)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H10BrNO/c1-2-3-14(17)16-13-7-5-10-8-12(15)6-4-11(10)9-13/h4-9H,1H3,(H,16,17)
InChIKeyCTALJSVHABCQTI-UHFFFAOYSA-N
MW288.14 g/mol
LogP3.56
Rot. Bonds1

About N-(6-bromonaphthalen-2-yl)but-2-ynamide

N-(6-bromonaphthalen-2-yl)but-2-ynamide (PubChem CID 107987946) has the molecular formula C14H10BrNO and a molecular weight of 288.14 g/mol. Its IUPAC name is N-(6-bromonaphthalen-2-yl)but-2-ynamide.

Molecular Properties

Compound NameN-(6-bromonaphthalen-2-yl)but-2-ynamide
PubChem CID107987946
Molecular FormulaC14H10BrNO
Molecular Weight288.14 g/mol
Exact Mass286.99
IUPAC NameN-(6-bromonaphthalen-2-yl)but-2-ynamide
SMILESCC#CC(=O)Nc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C14H10BrNO/c1-2-3-14(17)16-13-7-5-10-8-12(15)6-4-11(10)9-13/h4-9H,1H3,(H,16,17)
InChIKeyCTALJSVHABCQTI-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(6-bromonaphthalen-2-yl)-2,2-dimethylpropanamide
CID 81260371
methyl 2-[(6-bromonaphthalen-2-yl)amino]-2-oxoacetate
CID 112617488
2-[(6-bromonaphthalen-2-yl)carbamoylamino]-2-methylpropanoic acid
CID 81266952
N-(6-bromonaphthalen-2-yl)prop-2-enamide
CID 81259787
N-(6-bromonaphthalen-2-yl)-3-methylbutanamide
CID 81259381
N-(6-bromonaphthalen-2-yl)-2-methylsulfanylacetamide
CID 81003623
2-bromo-N-(6-bromonaphthalen-2-yl)butanamide
CID 81260484
N-(6-bromonaphthalen-2-yl)-2-ethoxyacetamide
CID 81003546
N-(6-bromonaphthalen-2-yl)pyrrolidine-1-carboxamide
CID 80979361
N-(6-bromonaphthalen-2-yl)-2-cyclopropylacetamide
CID 81004000
(2R)-2-amino-N-(6-bromonaphthalen-2-yl)-4-methylpentanamide
CID 104903779
N-(6-bromonaphthalen-2-yl)-3-(tert-butylamino)propanamide
CID 81266206

Frequently Asked Questions

What is the IUPAC name of N-(6-bromonaphthalen-2-yl)but-2-ynamide?
The IUPAC name of N-(6-bromonaphthalen-2-yl)but-2-ynamide (CID 107987946) is N-(6-bromonaphthalen-2-yl)but-2-ynamide.
What is the SMILES notation for N-(6-bromonaphthalen-2-yl)but-2-ynamide?
The canonical SMILES for N-(6-bromonaphthalen-2-yl)but-2-ynamide is CC#CC(=O)Nc1ccc2cc(Br)ccc2c1.
What is the InChIKey of N-(6-bromonaphthalen-2-yl)but-2-ynamide?
The InChIKey is CTALJSVHABCQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO/c1-2-3-14(17)16-13-7-5-10-8-12(15)6-4-11(10)9-13/h4-9H,1H3,(H,16,17).
What are the key properties of N-(6-bromonaphthalen-2-yl)but-2-ynamide?
N-(6-bromonaphthalen-2-yl)but-2-ynamide has a molecular weight of 288.14 g/mol, XLogP of 3.56, 1 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)but-2-ynamide is sourced from PubChem (CID 107987946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).