2-(4-chlorophenoxy)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide

C22H20ClNO2 — CID 133211172

IUPAC2-(4-chlorophenoxy)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide
SMILESCCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C22H20ClNO2/c1-2-20(26-17-11-9-16(23)10-12-17)22(25)24-19-13-8-15-7-6-14-4-3-5-18(19)21(14)15/h3-5,8-13,20H,2,6-7H2,1H3,(H,24,25)
InChIKeyYSUSJPJERCWEPF-UHFFFAOYSA-N
MW365.86 g/mol
LogP5.39
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide

2-(4-chlorophenoxy)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide (PubChem CID 133211172) has the molecular formula C22H20ClNO2 and a molecular weight of 365.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide
PubChem CID133211172
Molecular FormulaC22H20ClNO2
Molecular Weight365.86 g/mol
Exact Mass365.12
IUPAC Name2-(4-chlorophenoxy)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide
SMILESCCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C22H20ClNO2/c1-2-20(26-17-11-9-16(23)10-12-17)22(25)24-19-13-8-15-7-6-14-4-3-5-18(19)21(14)15/h3-5,8-13,20H,2,6-7H2,1H3,(H,24,25)
InChIKeyYSUSJPJERCWEPF-UHFFFAOYSA-N
XLogP5.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.86
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenoxy)-N-naphthalen-1-ylbutanamide
CID 132654391
(2S)-2-(4-chlorophenoxy)-N-(2,4-dimethoxyphenyl)butanamide
CID 9173271
(2R)-N-naphthalen-1-yl-2-phenoxybutanamide
CID 904123
N-benzyl-2-(4-chlorophenoxy)butanamide
CID 13232190
(2R)-N-(4-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 894853
(2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
CID 28632431
(2R)-N-(2-chlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100755174
N-(2,5-dichlorophenyl)-2-phenoxybutanamide
CID 2886435
2-(4-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide
CID 133218872
2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide
CID 53285318
(2S)-N-(2,5-dichlorophenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082552
(2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 879700

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide (CID 133211172) is 2-(4-chlorophenoxy)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide is CCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c3c(cccc13)CC2.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide?
The InChIKey is YSUSJPJERCWEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO2/c1-2-20(26-17-11-9-16(23)10-12-17)22(25)24-19-13-8-15-7-6-14-4-3-5-18(19)21(14)15/h3-5,8-13,20H,2,6-7H2,1H3,(H,24,25).
What are the key properties of 2-(4-chlorophenoxy)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide?
2-(4-chlorophenoxy)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide has a molecular weight of 365.86 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide is sourced from PubChem (CID 133211172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).