N-(3-chloro-4-fluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide

C18H17ClFNO2 — CID 100719602

IUPACN-(3-chloro-4-fluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
SMILESO=C(COc1cccc2c1CCCC2)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H17ClFNO2/c19-15-10-13(8-9-16(15)20)21-18(22)11-23-17-7-3-5-12-4-1-2-6-14(12)17/h3,5,7-10H,1-2,4,6,11H2,(H,21,22)
InChIKeyYORUDDXPWPNLDZ-UHFFFAOYSA-N
MW333.79 g/mol
LogP4.38
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide

N-(3-chloro-4-fluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide (PubChem CID 100719602) has the molecular formula C18H17ClFNO2 and a molecular weight of 333.79 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
PubChem CID100719602
Molecular FormulaC18H17ClFNO2
Molecular Weight333.79 g/mol
Exact Mass333.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
SMILESO=C(COc1cccc2c1CCCC2)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H17ClFNO2/c19-15-10-13(8-9-16(15)20)21-18(22)11-23-17-7-3-5-12-4-1-2-6-14(12)17/h3,5,7-10H,1-2,4,6,11H2,(H,21,22)
InChIKeyYORUDDXPWPNLDZ-UHFFFAOYSA-N
XLogP4.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dichlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100534852
N-(3-chloro-4-fluorophenyl)-2-(2-ethoxyphenoxy)acetamide
CID 2578584
N-(3-chloro-4-fluorophenyl)-2-[(2-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 82055980
N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide
CID 924892
N-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 800993
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982072
N-(3-chloro-4-fluorophenyl)-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716349
N-(2-methoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100747328
N-[2-(2-chlorophenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100663620
methyl 2-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]-3-fluorophenyl]acetate
CID 75452408
1-(3-chloro-4-methoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112975064
N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
CID 126246243

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide (CID 100719602) is N-(3-chloro-4-fluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide is O=C(COc1cccc2c1CCCC2)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The InChIKey is YORUDDXPWPNLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO2/c19-15-10-13(8-9-16(15)20)21-18(22)11-23-17-7-3-5-12-4-1-2-6-14(12)17/h3,5,7-10H,1-2,4,6,11H2,(H,21,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide has a molecular weight of 333.79 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide is sourced from PubChem (CID 100719602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).