N-(4-chloro-1-methoxybutan-2-yl)-2-naphthalen-2-ylacetamide

C17H20ClNO2 — CID 106155528

IUPACN-(4-chloro-1-methoxybutan-2-yl)-2-naphthalen-2-ylacetamide
SMILESCOCC(CCCl)NC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H20ClNO2/c1-21-12-16(8-9-18)19-17(20)11-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10,16H,8-9,11-12H2,1H3,(H,19,20)
InChIKeyXCYZWSPUJJMRFM-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.14
Rot. Bonds7

About N-(4-chloro-1-methoxybutan-2-yl)-2-naphthalen-2-ylacetamide

N-(4-chloro-1-methoxybutan-2-yl)-2-naphthalen-2-ylacetamide (PubChem CID 106155528) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is N-(4-chloro-1-methoxybutan-2-yl)-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-(4-chloro-1-methoxybutan-2-yl)-2-naphthalen-2-ylacetamide
PubChem CID106155528
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC NameN-(4-chloro-1-methoxybutan-2-yl)-2-naphthalen-2-ylacetamide
SMILESCOCC(CCCl)NC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H20ClNO2/c1-21-12-16(8-9-18)19-17(20)11-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10,16H,8-9,11-12H2,1H3,(H,19,20)
InChIKeyXCYZWSPUJJMRFM-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-1-methoxybutan-2-yl)-2-phenylacetamide
CID 106155031
N-(5-chloropentan-2-yl)-2-naphthalen-2-ylacetamide
CID 114305681
N-(4-chloro-1-methoxybutan-2-yl)benzamide
CID 106154813
N-(4-chloro-1-methoxybutan-2-yl)quinoline-2-carboxamide
CID 106155760
N-(1-chloro-3-methoxypropan-2-yl)-2-(3,4-dichlorophenyl)acetamide
CID 106182352
N-(4-amino-1-methoxybutan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 106152212
N-(4-bromo-1-methoxybutan-2-yl)-2-(3,4-dimethylphenyl)acetamide
CID 114151246
N-(4-hydroxy-1-methoxybutan-2-yl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 103799381
N-(4-amino-1-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide
CID 106152342
N-(4-hydroxy-1-methoxybutan-2-yl)-2-(4-methylphenyl)acetamide
CID 103799183
N-(1-bromo-3-methoxypropan-2-yl)-2-(3-chlorophenyl)acetamide
CID 106184117
N-(4-chloro-1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 106155771

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)-2-naphthalen-2-ylacetamide?
The IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)-2-naphthalen-2-ylacetamide (CID 106155528) is N-(4-chloro-1-methoxybutan-2-yl)-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-(4-chloro-1-methoxybutan-2-yl)-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-(4-chloro-1-methoxybutan-2-yl)-2-naphthalen-2-ylacetamide is COCC(CCCl)NC(=O)Cc1ccc2ccccc2c1.
What is the InChIKey of N-(4-chloro-1-methoxybutan-2-yl)-2-naphthalen-2-ylacetamide?
The InChIKey is XCYZWSPUJJMRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-21-12-16(8-9-18)19-17(20)11-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10,16H,8-9,11-12H2,1H3,(H,19,20).
What are the key properties of N-(4-chloro-1-methoxybutan-2-yl)-2-naphthalen-2-ylacetamide?
N-(4-chloro-1-methoxybutan-2-yl)-2-naphthalen-2-ylacetamide has a molecular weight of 305.81 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1-methoxybutan-2-yl)-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 106155528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).