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

C18H22BrNO — CID 115354010

IUPAC6-bromo-N-(3-ethylpentan-2-yl)naphthalene-2-carboxamide
SMILESCCC(CC)C(C)NC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H22BrNO/c1-4-13(5-2)12(3)20-18(21)16-7-6-15-11-17(19)9-8-14(15)10-16/h6-13H,4-5H2,1-3H3,(H,20,21)
InChIKeyIFZGJYAYDVPPSD-UHFFFAOYSA-N
MW348.28 g/mol
LogP5.16
Rot. Bonds5

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

6-bromo-N-(3-ethylpentan-2-yl)naphthalene-2-carboxamide (PubChem CID 115354010) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 6-bromo-N-(3-ethylpentan-2-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-ethylpentan-2-yl)naphthalene-2-carboxamide
PubChem CID115354010
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name6-bromo-N-(3-ethylpentan-2-yl)naphthalene-2-carboxamide
SMILESCCC(CC)C(C)NC(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H22BrNO/c1-4-13(5-2)12(3)20-18(21)16-7-6-15-11-17(19)9-8-14(15)10-16/h6-13H,4-5H2,1-3H3,(H,20,21)
InChIKeyIFZGJYAYDVPPSD-UHFFFAOYSA-N
XLogP5.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.28
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(3-ethylpentan-2-yl)benzamide
CID 55260581
6-bromo-N-(3-oxopentan-2-yl)naphthalene-2-carboxamide
CID 115353882
(2R)-2-[(6-bromonaphthalene-2-carbonyl)amino]butanoic acid
CID 115353671
N-[(2R)-1-aminopropan-2-yl]-6-bromonaphthalene-2-carboxamide
CID 104877086
6-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]naphthalene-2-carboxamide
CID 115283084
6-bromo-N-(1,3-dihydroxypropan-2-yl)naphthalene-2-carboxamide
CID 115354026
6-bromo-N-hex-5-yn-3-ylnaphthalene-2-carboxamide
CID 115749088
3-bromo-N-(3-ethylpentan-2-yl)-4-methoxybenzamide
CID 63837987
2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 115353629
6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide
CID 83030177
6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide
CID 115354023
3-amino-N-(3-ethylpentan-2-yl)-4-methylbenzamide
CID 63842494

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-ethylpentan-2-yl)naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-(3-ethylpentan-2-yl)naphthalene-2-carboxamide (CID 115354010) is 6-bromo-N-(3-ethylpentan-2-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-ethylpentan-2-yl)naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-(3-ethylpentan-2-yl)naphthalene-2-carboxamide is CCC(CC)C(C)NC(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-(3-ethylpentan-2-yl)naphthalene-2-carboxamide?
The InChIKey is IFZGJYAYDVPPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-4-13(5-2)12(3)20-18(21)16-7-6-15-11-17(19)9-8-14(15)10-16/h6-13H,4-5H2,1-3H3,(H,20,21).
What are the key properties of 6-bromo-N-(3-ethylpentan-2-yl)naphthalene-2-carboxamide?
6-bromo-N-(3-ethylpentan-2-yl)naphthalene-2-carboxamide has a molecular weight of 348.28 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-ethylpentan-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 115354010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).