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

C20H17Cl2NO2 — CID 162648606

IUPACN-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1
InChIInChI=1S/C20H17Cl2NO2/c1-2-5-20(24)23-13-8-10-19(17(22)12-13)25-18-11-9-16(21)14-6-3-4-7-15(14)18/h3-4,6-12H,2,5H2,1H3,(H,23,24)
InChIKeyJMDQFVFDWAYBOU-UHFFFAOYSA-N
MW374.27 g/mol
LogP6.68
Rot. Bonds5

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

N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]butanamide (PubChem CID 162648606) has the molecular formula C20H17Cl2NO2 and a molecular weight of 374.27 g/mol. Its IUPAC name is N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]butanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]butanamide
PubChem CID162648606
Molecular FormulaC20H17Cl2NO2
Molecular Weight374.27 g/mol
Exact Mass373.06
IUPAC NameN-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1
InChIInChI=1S/C20H17Cl2NO2/c1-2-5-20(24)23-13-8-10-19(17(22)12-13)25-18-11-9-16(21)14-6-3-4-7-15(14)18/h3-4,6-12H,2,5H2,1H3,(H,23,24)
InChIKeyJMDQFVFDWAYBOU-UHFFFAOYSA-N
XLogP6.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.27
LogP ≤ 56.68
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]butanamide?
The IUPAC name of N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]butanamide (CID 162648606) is N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]butanamide.
What is the SMILES notation for N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]butanamide?
The canonical SMILES for N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]butanamide is CCCC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]butanamide?
The InChIKey is JMDQFVFDWAYBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO2/c1-2-5-20(24)23-13-8-10-19(17(22)12-13)25-18-11-9-16(21)14-6-3-4-7-15(14)18/h3-4,6-12H,2,5H2,1H3,(H,23,24).
What are the key properties of N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]butanamide?
N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]butanamide has a molecular weight of 374.27 g/mol, XLogP of 6.68, 5 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]butanamide is sourced from PubChem (CID 162648606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).