2-chloro-N-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide

C18H15ClN2O — CID 53416962

IUPAC2-chloro-N-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CCl)N(Cc1cccnc1)c1cccc2ccccc12
InChIInChI=1S/C18H15ClN2O/c19-11-18(22)21(13-14-5-4-10-20-12-14)17-9-3-7-15-6-1-2-8-16(15)17/h1-10,12H,11,13H2
InChIKeyBXYZCUXEBUWMSS-UHFFFAOYSA-N
MW310.78 g/mol
LogP4.01
Rot. Bonds4

About 2-chloro-N-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide

2-chloro-N-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 53416962) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-chloro-N-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide
PubChem CID53416962
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC Name2-chloro-N-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CCl)N(Cc1cccnc1)c1cccc2ccccc12
InChIInChI=1S/C18H15ClN2O/c19-11-18(22)21(13-14-5-4-10-20-12-14)17-9-3-7-15-6-1-2-8-16(15)17/h1-10,12H,11,13H2
InChIKeyBXYZCUXEBUWMSS-UHFFFAOYSA-N
XLogP4.01
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
1-naphthalen-1-yl-1-oxido-3-(pyridin-3-ylmethyl)urea
CID 21454491
2-chloro-N-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53416837
2-chloro-N-(cyclobutylmethyl)-N-naphthalen-1-ylacetamide
CID 53416906
1-(1-naphthalen-1-ylethyl)-1-(pyridin-3-ylmethyl)urea
CID 123313584
N-phenyl-4-pyridin-3-yl-N-(pyridin-3-ylmethyl)butanamide
CID 110613065
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide
CID 16821548
N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide
CID 40982885
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
2-chloro-N-[(3-hydroxyphenyl)methyl]-N-pyridin-2-ylacetamide
CID 82110912
1-amino-1-(pyridin-3-ylmethyl)urea
CID 155026143
N-(pyridin-3-ylmethyl)propanehydrazide
CID 70312825

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-chloro-N-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide (CID 53416962) is 2-chloro-N-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-N-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-N-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide is O=C(CCl)N(Cc1cccnc1)c1cccc2ccccc12.
What is the InChIKey of 2-chloro-N-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is BXYZCUXEBUWMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O/c19-11-18(22)21(13-14-5-4-10-20-12-14)17-9-3-7-15-6-1-2-8-16(15)17/h1-10,12H,11,13H2.
What are the key properties of 2-chloro-N-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide?
2-chloro-N-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 310.78 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 53416962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).