N-(5-bromopentan-2-yl)naphthalene-1-carboxamide

C16H18BrNO — CID 113276035

IUPACN-(5-bromopentan-2-yl)naphthalene-1-carboxamide
SMILESCC(CCCBr)NC(=O)c1cccc2ccccc12
InChIInChI=1S/C16H18BrNO/c1-12(6-5-11-17)18-16(19)15-10-4-8-13-7-2-3-9-14(13)15/h2-4,7-10,12H,5-6,11H2,1H3,(H,18,19)
InChIKeyZRGWJVWZJGXVOI-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.13
Rot. Bonds5

About N-(5-bromopentan-2-yl)naphthalene-1-carboxamide

N-(5-bromopentan-2-yl)naphthalene-1-carboxamide (PubChem CID 113276035) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is N-(5-bromopentan-2-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromopentan-2-yl)naphthalene-1-carboxamide
PubChem CID113276035
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC NameN-(5-bromopentan-2-yl)naphthalene-1-carboxamide
SMILESCC(CCCBr)NC(=O)c1cccc2ccccc12
InChIInChI=1S/C16H18BrNO/c1-12(6-5-11-17)18-16(19)15-10-4-8-13-7-2-3-9-14(13)15/h2-4,7-10,12H,5-6,11H2,1H3,(H,18,19)
InChIKeyZRGWJVWZJGXVOI-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(naphthalene-1-carbonylamino)propanoic acid
CID 11637328
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
N-(4-bromobutanoyl)naphthalene-1-carboxamide
CID 174780891
N-(4-bromobutan-2-yl)-2-fluoro-3-methylbenzamide
CID 83179699
N-(5-bromopentan-2-yl)-4-chlorobenzamide
CID 114316555
2-bromo-N-(5-bromopentan-2-yl)furan-3-carboxamide
CID 106856170
N-(4-bromobutan-2-yl)quinoline-8-carboxamide
CID 83178653
N-(2,4-dimethylpentan-3-ylideneamino)naphthalene-1-carboxamide
CID 4079400
N-(5-bromopentan-2-yl)-2,5-difluorobenzamide
CID 114316646
N-(1-aminopentan-2-yl)naphthalene-1-carboxamide
CID 65191426
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)naphthalene-1-carboxamide
CID 77038961
N-(1-amino-4,4-dimethylpentan-3-yl)naphthalene-1-carboxamide
CID 106357235

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentan-2-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(5-bromopentan-2-yl)naphthalene-1-carboxamide (CID 113276035) is N-(5-bromopentan-2-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(5-bromopentan-2-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(5-bromopentan-2-yl)naphthalene-1-carboxamide is CC(CCCBr)NC(=O)c1cccc2ccccc12.
What is the InChIKey of N-(5-bromopentan-2-yl)naphthalene-1-carboxamide?
The InChIKey is ZRGWJVWZJGXVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-12(6-5-11-17)18-16(19)15-10-4-8-13-7-2-3-9-14(13)15/h2-4,7-10,12H,5-6,11H2,1H3,(H,18,19).
What are the key properties of N-(5-bromopentan-2-yl)naphthalene-1-carboxamide?
N-(5-bromopentan-2-yl)naphthalene-1-carboxamide has a molecular weight of 320.23 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentan-2-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 113276035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).