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

C19H15Cl2NO2 — CID 162673036

IUPACN-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]propanamide
SMILESCCC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1
InChIInChI=1S/C19H15Cl2NO2/c1-2-19(23)22-12-7-9-18(16(21)11-12)24-17-10-8-15(20)13-5-3-4-6-14(13)17/h3-11H,2H2,1H3,(H,22,23)
InChIKeyMQIIVYOAOLYJSB-UHFFFAOYSA-N
MW360.24 g/mol
LogP6.29
Rot. Bonds4

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

N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]propanamide (PubChem CID 162673036) has the molecular formula C19H15Cl2NO2 and a molecular weight of 360.24 g/mol. Its IUPAC name is N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]propanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]propanamide
PubChem CID162673036
Molecular FormulaC19H15Cl2NO2
Molecular Weight360.24 g/mol
Exact Mass359.05
IUPAC NameN-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]propanamide
SMILESCCC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1
InChIInChI=1S/C19H15Cl2NO2/c1-2-19(23)22-12-7-9-18(16(21)11-12)24-17-10-8-15(20)13-5-3-4-6-14(13)17/h3-11H,2H2,1H3,(H,22,23)
InChIKeyMQIIVYOAOLYJSB-UHFFFAOYSA-N
XLogP6.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.24
LogP ≤ 56.29
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]propanamide?
The IUPAC name of N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]propanamide (CID 162673036) is N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]propanamide.
What is the SMILES notation for N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]propanamide?
The canonical SMILES for N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]propanamide is CCC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]propanamide?
The InChIKey is MQIIVYOAOLYJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO2/c1-2-19(23)22-12-7-9-18(16(21)11-12)24-17-10-8-15(20)13-5-3-4-6-14(13)17/h3-11H,2H2,1H3,(H,22,23).
What are the key properties of N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]propanamide?
N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]propanamide has a molecular weight of 360.24 g/mol, XLogP of 6.29, 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-(4-chloronaphthalen-1-yl)oxyphenyl]propanamide is sourced from PubChem (CID 162673036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).