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

C18H22ClNO — CID 114300915

IUPACN-(1-chloro-4-methylpentan-2-yl)-2-naphthalen-1-ylacetamide
SMILESCC(C)CC(CCl)NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C18H22ClNO/c1-13(2)10-16(12-19)20-18(21)11-15-8-5-7-14-6-3-4-9-17(14)15/h3-9,13,16H,10-12H2,1-2H3,(H,20,21)
InChIKeyYTXUVWFDKZZNQP-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.15
Rot. Bonds6

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

N-(1-chloro-4-methylpentan-2-yl)-2-naphthalen-1-ylacetamide (PubChem CID 114300915) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-2-yl)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-2-yl)-2-naphthalen-1-ylacetamide
PubChem CID114300915
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-(1-chloro-4-methylpentan-2-yl)-2-naphthalen-1-ylacetamide
SMILESCC(C)CC(CCl)NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C18H22ClNO/c1-13(2)10-16(12-19)20-18(21)11-15-8-5-7-14-6-3-4-9-17(14)15/h3-9,13,16H,10-12H2,1-2H3,(H,20,21)
InChIKeyYTXUVWFDKZZNQP-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.15
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

(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
2-(3-bromophenyl)-N-(1-chloro-4-methylpentan-2-yl)acetamide
CID 113272495
2-naphthalen-1-yl-N-[(1S)-1-phenylethyl]acetamide
CID 1225206
methyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate
CID 2079406
(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 2084038
N-(1-hydroxy-3-methylbutan-2-yl)-2-naphthalen-1-ylacetamide
CID 79252551
2,6-dimethyl-N-(naphthalen-1-ylmethyl)heptan-4-amine
CID 63478165
N-(1-chloro-4-methylpentan-2-yl)naphthalene-2-carboxamide
CID 114300984
N-(1-cyano-2-methylpropyl)-2-naphthalen-1-ylacetamide
CID 63928538
2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid
CID 122366195
2-naphthalen-1-yl-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 7948833
(3S)-4-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 53341147

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-2-naphthalen-1-ylacetamide (CID 114300915) is N-(1-chloro-4-methylpentan-2-yl)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-2-yl)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-2-yl)-2-naphthalen-1-ylacetamide is CC(C)CC(CCl)NC(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-(1-chloro-4-methylpentan-2-yl)-2-naphthalen-1-ylacetamide?
The InChIKey is YTXUVWFDKZZNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-13(2)10-16(12-19)20-18(21)11-15-8-5-7-14-6-3-4-9-17(14)15/h3-9,13,16H,10-12H2,1-2H3,(H,20,21).
What are the key properties of N-(1-chloro-4-methylpentan-2-yl)-2-naphthalen-1-ylacetamide?
N-(1-chloro-4-methylpentan-2-yl)-2-naphthalen-1-ylacetamide has a molecular weight of 303.83 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-2-yl)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 114300915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).