6-bromo-N-but-3-enylnaphthalene-2-carboxamide

C15H14BrNO — CID 113465704

IUPAC6-bromo-N-but-3-enylnaphthalene-2-carboxamide
SMILESC=CCCNC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H14BrNO/c1-2-3-8-17-15(18)13-5-4-12-10-14(16)7-6-11(12)9-13/h2,4-7,9-10H,1,3,8H2,(H,17,18)
InChIKeyCCKYTTHGWCVQJW-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.91
Rot. Bonds4

About 6-bromo-N-but-3-enylnaphthalene-2-carboxamide

6-bromo-N-but-3-enylnaphthalene-2-carboxamide (PubChem CID 113465704) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 6-bromo-N-but-3-enylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-but-3-enylnaphthalene-2-carboxamide
PubChem CID113465704
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name6-bromo-N-but-3-enylnaphthalene-2-carboxamide
SMILESC=CCCNC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H14BrNO/c1-2-3-8-17-15(18)13-5-4-12-10-14(16)7-6-11(12)9-13/h2,4-7,9-10H,1,3,8H2,(H,17,18)
InChIKeyCCKYTTHGWCVQJW-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-oxopropyl)-6-bromonaphthalene-2-carboxamide
CID 91636090
6-bromo-N-(2-methylsulfinylethyl)naphthalene-2-carboxamide
CID 113278435
6-bromo-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide
CID 115283099
ethyl 3-[(6-bromonaphthalene-2-carbonyl)amino]propanoate
CID 115283275
N-(3-azidopropyl)-6-bromonaphthalene-2-carboxamide
CID 115354417
6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide
CID 83030177
6-bromo-N-(2-prop-2-ynylsulfanylethyl)naphthalene-2-carboxamide
CID 103824835
6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide
CID 115354023
6-bromo-N-(3-hydroxy-2-methylpropyl)naphthalene-2-carboxamide
CID 113278451
6-bromo-N-(cyclohexylmethyl)naphthalene-2-carboxamide
CID 115353943
6-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]naphthalene-2-carboxamide
CID 115283360
6-bromo-N-(3-bromo-2-methylpropyl)naphthalene-2-carboxamide
CID 113292807

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-but-3-enylnaphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-but-3-enylnaphthalene-2-carboxamide (CID 113465704) is 6-bromo-N-but-3-enylnaphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-but-3-enylnaphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-but-3-enylnaphthalene-2-carboxamide is C=CCCNC(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-but-3-enylnaphthalene-2-carboxamide?
The InChIKey is CCKYTTHGWCVQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-2-3-8-17-15(18)13-5-4-12-10-14(16)7-6-11(12)9-13/h2,4-7,9-10H,1,3,8H2,(H,17,18).
What are the key properties of 6-bromo-N-but-3-enylnaphthalene-2-carboxamide?
6-bromo-N-but-3-enylnaphthalene-2-carboxamide has a molecular weight of 304.19 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-but-3-enylnaphthalene-2-carboxamide is sourced from PubChem (CID 113465704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).