N-[3-(4-chlorophenyl)propyl]-2-naphthalen-1-yloxybutanamide

C23H24ClNO2 — CID 43909206

IUPACN-[3-(4-chlorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
SMILESCCC(Oc1cccc2ccccc12)C(=O)NCCCc1ccc(Cl)cc1
InChIInChI=1S/C23H24ClNO2/c1-2-21(27-22-11-5-9-18-8-3-4-10-20(18)22)23(26)25-16-6-7-17-12-14-19(24)15-13-17/h3-5,8-15,21H,2,6-7,16H2,1H3,(H,25,26)
InChIKeyURTSXTVLUOXAAW-UHFFFAOYSA-N
MW381.90 g/mol
LogP5.40
Rot. Bonds8

About N-[3-(4-chlorophenyl)propyl]-2-naphthalen-1-yloxybutanamide

N-[3-(4-chlorophenyl)propyl]-2-naphthalen-1-yloxybutanamide (PubChem CID 43909206) has the molecular formula C23H24ClNO2 and a molecular weight of 381.90 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)propyl]-2-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
PubChem CID43909206
Molecular FormulaC23H24ClNO2
Molecular Weight381.90 g/mol
Exact Mass381.15
IUPAC NameN-[3-(4-chlorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
SMILESCCC(Oc1cccc2ccccc12)C(=O)NCCCc1ccc(Cl)cc1
InChIInChI=1S/C23H24ClNO2/c1-2-21(27-22-11-5-9-18-8-3-4-10-20(18)22)23(26)25-16-6-7-17-12-14-19(24)15-13-17/h3-5,8-15,21H,2,6-7,16H2,1H3,(H,25,26)
InChIKeyURTSXTVLUOXAAW-UHFFFAOYSA-N
XLogP5.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.90
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
CID 43909517
(2R)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
CID 93487591
2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)propyl]butanamide
CID 132762013
(2R)-2-naphthalen-1-yloxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 94027047
(2R)-2-naphthalen-1-yloxy-N-(2-phenylethyl)butanamide
CID 92675290
(2S)-2-naphthalen-1-yloxy-N-pentylbutanamide
CID 94012357
(2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide
CID 94016511
2-(4-chlorophenoxy)-N-(3-phenylpropyl)butanamide
CID 132651550
(2S)-N-ethyl-2-naphthalen-1-yloxybutanamide
CID 92675039
(2R)-N-(3-ethoxypropyl)-2-naphthalen-1-yloxybutanamide
CID 99955185
(2S)-N-benzyl-2-naphthalen-1-yloxybutanamide
CID 30377459
(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 92646424

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)propyl]-2-naphthalen-1-yloxybutanamide?
The IUPAC name of N-[3-(4-chlorophenyl)propyl]-2-naphthalen-1-yloxybutanamide (CID 43909206) is N-[3-(4-chlorophenyl)propyl]-2-naphthalen-1-yloxybutanamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)propyl]-2-naphthalen-1-yloxybutanamide?
The canonical SMILES for N-[3-(4-chlorophenyl)propyl]-2-naphthalen-1-yloxybutanamide is CCC(Oc1cccc2ccccc12)C(=O)NCCCc1ccc(Cl)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)propyl]-2-naphthalen-1-yloxybutanamide?
The InChIKey is URTSXTVLUOXAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO2/c1-2-21(27-22-11-5-9-18-8-3-4-10-20(18)22)23(26)25-16-6-7-17-12-14-19(24)15-13-17/h3-5,8-15,21H,2,6-7,16H2,1H3,(H,25,26).
What are the key properties of N-[3-(4-chlorophenyl)propyl]-2-naphthalen-1-yloxybutanamide?
N-[3-(4-chlorophenyl)propyl]-2-naphthalen-1-yloxybutanamide has a molecular weight of 381.90 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)propyl]-2-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 43909206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).