N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide

C18H13Cl2NO2 — CID 162651541

IUPACN-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1
InChIInChI=1S/C18H13Cl2NO2/c1-11(22)21-12-6-8-18(16(20)10-12)23-17-9-7-15(19)13-4-2-3-5-14(13)17/h2-10H,1H3,(H,21,22)
InChIKeyAORPOSMNKUXLSG-UHFFFAOYSA-N
MW346.21 g/mol
LogP5.90
Rot. Bonds3

About N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide

N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide (PubChem CID 162651541) has the molecular formula C18H13Cl2NO2 and a molecular weight of 346.21 g/mol. Its IUPAC name is N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide
PubChem CID162651541
Molecular FormulaC18H13Cl2NO2
Molecular Weight346.21 g/mol
Exact Mass345.03
IUPAC NameN-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1
InChIInChI=1S/C18H13Cl2NO2/c1-11(22)21-12-6-8-18(16(20)10-12)23-17-9-7-15(19)13-4-2-3-5-14(13)17/h2-10H,1H3,(H,21,22)
InChIKeyAORPOSMNKUXLSG-UHFFFAOYSA-N
XLogP5.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.21
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide?
The IUPAC name of N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide (CID 162651541) is N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide.
What is the SMILES notation for N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide?
The canonical SMILES for N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide is CC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide?
The InChIKey is AORPOSMNKUXLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO2/c1-11(22)21-12-6-8-18(16(20)10-12)23-17-9-7-15(19)13-4-2-3-5-14(13)17/h2-10H,1H3,(H,21,22).
What are the key properties of N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide?
N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide has a molecular weight of 346.21 g/mol, XLogP of 5.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide is sourced from PubChem (CID 162651541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).