N-(5-chloropentan-2-yl)-2-naphthalen-2-ylacetamide

C17H20ClNO — CID 114305681

IUPACN-(5-chloropentan-2-yl)-2-naphthalen-2-ylacetamide
SMILESCC(CCCCl)NC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H20ClNO/c1-13(5-4-10-18)19-17(20)12-14-8-9-15-6-2-3-7-16(15)11-14/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,19,20)
InChIKeyUJMNHRQOSFNOCV-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.91
Rot. Bonds6

About N-(5-chloropentan-2-yl)-2-naphthalen-2-ylacetamide

N-(5-chloropentan-2-yl)-2-naphthalen-2-ylacetamide (PubChem CID 114305681) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-(5-chloropentan-2-yl)-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-(5-chloropentan-2-yl)-2-naphthalen-2-ylacetamide
PubChem CID114305681
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-(5-chloropentan-2-yl)-2-naphthalen-2-ylacetamide
SMILESCC(CCCCl)NC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H20ClNO/c1-13(5-4-10-18)19-17(20)12-14-8-9-15-6-2-3-7-16(15)11-14/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,19,20)
InChIKeyUJMNHRQOSFNOCV-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.91
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

N-(1-cyanopropan-2-yl)-2-naphthalen-2-ylacetamide
CID 62090634
N-(4-chloro-1-methoxybutan-2-yl)-2-naphthalen-2-ylacetamide
CID 106155528
N-but-3-yn-2-yl-2-naphthalen-2-ylacetamide
CID 114389774
4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid
CID 18070230
N-(4-aminopentyl)-2-naphthalen-2-ylacetamide
CID 106122522
N-[(2R)-2-hydroxypropyl]-2-naphthalen-2-ylacetamide
CID 83032079
2-[(2-naphthalen-2-ylacetyl)amino]propanediamide
CID 134011808
N-[[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]methyl]-2-naphthalen-2-ylacetamide
CID 154874968
2-naphthalen-2-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 38196427
N-hex-1-yn-3-yl-2-naphthalen-2-ylacetamide
CID 103528710
N-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide
CID 2423706
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-naphthalen-2-ylacetamide
CID 107867586

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentan-2-yl)-2-naphthalen-2-ylacetamide?
The IUPAC name of N-(5-chloropentan-2-yl)-2-naphthalen-2-ylacetamide (CID 114305681) is N-(5-chloropentan-2-yl)-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-(5-chloropentan-2-yl)-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-(5-chloropentan-2-yl)-2-naphthalen-2-ylacetamide is CC(CCCCl)NC(=O)Cc1ccc2ccccc2c1.
What is the InChIKey of N-(5-chloropentan-2-yl)-2-naphthalen-2-ylacetamide?
The InChIKey is UJMNHRQOSFNOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-13(5-4-10-18)19-17(20)12-14-8-9-15-6-2-3-7-16(15)11-14/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,19,20).
What are the key properties of N-(5-chloropentan-2-yl)-2-naphthalen-2-ylacetamide?
N-(5-chloropentan-2-yl)-2-naphthalen-2-ylacetamide has a molecular weight of 289.81 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentan-2-yl)-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 114305681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).