N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-naphthalen-2-ylacetamide

C17H19Cl2NO — CID 107867586

IUPACN-[1-chloro-2-(chloromethyl)butan-2-yl]-2-naphthalen-2-ylacetamide
SMILESCCC(CCl)(CCl)NC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H19Cl2NO/c1-2-17(11-18,12-19)20-16(21)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9H,2,10-12H2,1H3,(H,20,21)
InChIKeyXPFPVGKUOGFBSE-UHFFFAOYSA-N
MW324.25 g/mol
LogP4.12
Rot. Bonds6

About N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-naphthalen-2-ylacetamide

N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-naphthalen-2-ylacetamide (PubChem CID 107867586) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-chloro-2-(chloromethyl)butan-2-yl]-2-naphthalen-2-ylacetamide
PubChem CID107867586
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC NameN-[1-chloro-2-(chloromethyl)butan-2-yl]-2-naphthalen-2-ylacetamide
SMILESCCC(CCl)(CCl)NC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H19Cl2NO/c1-2-17(11-18,12-19)20-16(21)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9H,2,10-12H2,1H3,(H,20,21)
InChIKeyXPFPVGKUOGFBSE-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.12
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-chloro-3-methylpentan-3-yl)-2-naphthalen-2-ylacetamide
CID 106168408
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-(2-chlorophenyl)acetamide
CID 114010841
N-[3-(aminomethyl)pentan-3-yl]-3-naphthalen-2-ylpropanamide
CID 119571535
N-[1-chloro-2-(chloromethyl)butan-2-yl]-3-phenylpropanamide
CID 107867522
N-[3-(chloromethyl)pentan-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114304583
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-thiophen-2-ylacetamide
CID 107867609
N-(4-methylphenyl)-2-naphthalen-2-ylacetamide
CID 9411639
N-(5-chloropentan-2-yl)-2-naphthalen-2-ylacetamide
CID 114305681
N-[3-(chloromethyl)pentan-3-yl]-2-(2-methoxyphenyl)acetamide
CID 114304648
N-[3,5-bis[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide
CID 67257199
N-(4-amino-2,2-dimethylbutyl)-2-naphthalen-2-ylacetamide
CID 106139776
N-(4-acetamidophenyl)-2-naphthalen-2-ylacetamide
CID 26499620

Frequently Asked Questions

What is the IUPAC name of N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-naphthalen-2-ylacetamide (CID 107867586) is N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-naphthalen-2-ylacetamide is CCC(CCl)(CCl)NC(=O)Cc1ccc2ccccc2c1.
What is the InChIKey of N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-naphthalen-2-ylacetamide?
The InChIKey is XPFPVGKUOGFBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-2-17(11-18,12-19)20-16(21)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9H,2,10-12H2,1H3,(H,20,21).
What are the key properties of N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-naphthalen-2-ylacetamide?
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-naphthalen-2-ylacetamide has a molecular weight of 324.25 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 107867586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).