N-(2-chloro-3-methoxypropyl)-2-naphthalen-1-ylacetamide

C16H18ClNO2 — CID 114298908

IUPACN-(2-chloro-3-methoxypropyl)-2-naphthalen-1-ylacetamide
SMILESCOCC(Cl)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C16H18ClNO2/c1-20-11-14(17)10-18-16(19)9-13-7-4-6-12-5-2-3-8-15(12)13/h2-8,14H,9-11H2,1H3,(H,18,19)
InChIKeyYEPYGTKORWRIPR-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.75
Rot. Bonds6

About N-(2-chloro-3-methoxypropyl)-2-naphthalen-1-ylacetamide

N-(2-chloro-3-methoxypropyl)-2-naphthalen-1-ylacetamide (PubChem CID 114298908) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-2-naphthalen-1-ylacetamide
PubChem CID114298908
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC NameN-(2-chloro-3-methoxypropyl)-2-naphthalen-1-ylacetamide
SMILESCOCC(Cl)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C16H18ClNO2/c1-20-11-14(17)10-18-16(19)9-13-7-4-6-12-5-2-3-8-15(12)13/h2-8,14H,9-11H2,1H3,(H,18,19)
InChIKeyYEPYGTKORWRIPR-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.75
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-(2,2-dimethoxyethyl)-2-naphthalen-1-ylacetamide
CID 60653057
2-methoxy-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 106108050
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-naphthalen-1-ylacetamide
CID 99876133
3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 81063161
3-chloro-4-methoxy-N-(naphthalen-1-ylmethyl)butan-1-amine
CID 106242289
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-naphthalen-1-ylacetamide
CID 41318235
2-(2-methoxyethylamino)-N-(naphthalen-1-ylmethyl)acetamide;hydrochloride
CID 119709577
N-(2-chloro-3-methoxypropyl)-1-benzofuran-2-carboxamide
CID 113271992
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
2-bromo-N-(2-chloro-3-methoxypropyl)benzamide
CID 114298631
N-[(2R)-2-ethylhexyl]-2-naphthalen-1-ylacetamide
CID 7314092
N-[2-[2-(methylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 120831392

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-2-naphthalen-1-ylacetamide (CID 114298908) is N-(2-chloro-3-methoxypropyl)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-2-naphthalen-1-ylacetamide is COCC(Cl)CNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-2-naphthalen-1-ylacetamide?
The InChIKey is YEPYGTKORWRIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-20-11-14(17)10-18-16(19)9-13-7-4-6-12-5-2-3-8-15(12)13/h2-8,14H,9-11H2,1H3,(H,18,19).
What are the key properties of N-(2-chloro-3-methoxypropyl)-2-naphthalen-1-ylacetamide?
N-(2-chloro-3-methoxypropyl)-2-naphthalen-1-ylacetamide has a molecular weight of 291.78 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 114298908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).