6-bromo-N-(3-oxopentan-2-yl)naphthalene-2-carboxamide

C16H16BrNO2 — CID 115353882

IUPAC6-bromo-N-(3-oxopentan-2-yl)naphthalene-2-carboxamide
SMILESCCC(=O)C(C)NC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H16BrNO2/c1-3-15(19)10(2)18-16(20)13-5-4-12-9-14(17)7-6-11(12)8-13/h4-10H,3H2,1-2H3,(H,18,20)
InChIKeyHNOHVBNCPQZNCI-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.70
Rot. Bonds4

About 6-bromo-N-(3-oxopentan-2-yl)naphthalene-2-carboxamide

6-bromo-N-(3-oxopentan-2-yl)naphthalene-2-carboxamide (PubChem CID 115353882) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 6-bromo-N-(3-oxopentan-2-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-oxopentan-2-yl)naphthalene-2-carboxamide
PubChem CID115353882
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name6-bromo-N-(3-oxopentan-2-yl)naphthalene-2-carboxamide
SMILESCCC(=O)C(C)NC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H16BrNO2/c1-3-15(19)10(2)18-16(20)13-5-4-12-9-14(17)7-6-11(12)8-13/h4-10H,3H2,1-2H3,(H,18,20)
InChIKeyHNOHVBNCPQZNCI-UHFFFAOYSA-N
XLogP3.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]naphthalene-2-carboxamide
CID 115283084
6-bromo-N-(3-ethylpentan-2-yl)naphthalene-2-carboxamide
CID 115354010
N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide
CID 104877086
(2R)-2-[(6-bromonaphthalene-2-carbonyl)amino]butanoic acid
CID 115353671
6-bromo-N-(1,3-dihydroxypropan-2-yl)naphthalene-2-carboxamide
CID 115354026
3-bromo-5-methyl-N-(3-oxopentan-2-yl)benzamide
CID 104851606
2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 115353629
6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide
CID 83030177
N-(3-oxopentan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 64991581
6-bromo-N-hex-5-yn-3-ylnaphthalene-2-carboxamide
CID 115749088
2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 115353635
6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide
CID 115354023

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-oxopentan-2-yl)naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-(3-oxopentan-2-yl)naphthalene-2-carboxamide (CID 115353882) is 6-bromo-N-(3-oxopentan-2-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-oxopentan-2-yl)naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-(3-oxopentan-2-yl)naphthalene-2-carboxamide is CCC(=O)C(C)NC(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-(3-oxopentan-2-yl)naphthalene-2-carboxamide?
The InChIKey is HNOHVBNCPQZNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-3-15(19)10(2)18-16(20)13-5-4-12-9-14(17)7-6-11(12)8-13/h4-10H,3H2,1-2H3,(H,18,20).
What are the key properties of 6-bromo-N-(3-oxopentan-2-yl)naphthalene-2-carboxamide?
6-bromo-N-(3-oxopentan-2-yl)naphthalene-2-carboxamide has a molecular weight of 334.21 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-oxopentan-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 115353882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).