3-chloro-N-(4-naphthalen-1-yloxybut-2-ynyl)propanamide

C17H16ClNO2 — CID 90578056

IUPAC3-chloro-N-(4-naphthalen-1-yloxybut-2-ynyl)propanamide
SMILESO=C(CCCl)NCC#CCOc1cccc2ccccc12
InChIInChI=1S/C17H16ClNO2/c18-11-10-17(20)19-12-3-4-13-21-16-9-5-7-14-6-1-2-8-15(14)16/h1-2,5-9H,10-13H2,(H,19,20)
InChIKeyCWBMWFFNGLWAFJ-UHFFFAOYSA-N
MW301.77 g/mol
LogP2.97
Rot. Bonds5

About 3-chloro-N-(4-naphthalen-1-yloxybut-2-ynyl)propanamide

3-chloro-N-(4-naphthalen-1-yloxybut-2-ynyl)propanamide (PubChem CID 90578056) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 3-chloro-N-(4-naphthalen-1-yloxybut-2-ynyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(4-naphthalen-1-yloxybut-2-ynyl)propanamide
PubChem CID90578056
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name3-chloro-N-(4-naphthalen-1-yloxybut-2-ynyl)propanamide
SMILESO=C(CCCl)NCC#CCOc1cccc2ccccc12
InChIInChI=1S/C17H16ClNO2/c18-11-10-17(20)19-12-3-4-13-21-16-9-5-7-14-6-1-2-8-15(14)16/h1-2,5-9H,10-13H2,(H,19,20)
InChIKeyCWBMWFFNGLWAFJ-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide
CID 90578167
N-(4-naphthalen-1-yloxybut-2-ynyl)-3,3-diphenylpropanamide
CID 121131597
2-(4-chlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578113
4-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide
CID 90578226
N-(4-naphthalen-1-yloxybut-2-ynyl)benzamide
CID 90578060
2-(1,3-dioxoisoindol-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578185
2-(2,4-dichlorophenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578114
2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578119
3-chloro-N-[4-(2,4-difluorophenoxy)but-2-ynyl]propanamide
CID 90577651
N-(4-naphthalen-1-yloxybut-2-ynyl)cyclopentanecarboxamide
CID 90578043
N-(4-naphthalen-1-yloxybut-2-ynyl)cyclobutanecarboxamide
CID 90578198
4-naphthalen-1-yloxybut-2-yn-1-ol
CID 123667335

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-naphthalen-1-yloxybut-2-ynyl)propanamide?
The IUPAC name of 3-chloro-N-(4-naphthalen-1-yloxybut-2-ynyl)propanamide (CID 90578056) is 3-chloro-N-(4-naphthalen-1-yloxybut-2-ynyl)propanamide.
What is the SMILES notation for 3-chloro-N-(4-naphthalen-1-yloxybut-2-ynyl)propanamide?
The canonical SMILES for 3-chloro-N-(4-naphthalen-1-yloxybut-2-ynyl)propanamide is O=C(CCCl)NCC#CCOc1cccc2ccccc12.
What is the InChIKey of 3-chloro-N-(4-naphthalen-1-yloxybut-2-ynyl)propanamide?
The InChIKey is CWBMWFFNGLWAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c18-11-10-17(20)19-12-3-4-13-21-16-9-5-7-14-6-1-2-8-15(14)16/h1-2,5-9H,10-13H2,(H,19,20).
What are the key properties of 3-chloro-N-(4-naphthalen-1-yloxybut-2-ynyl)propanamide?
3-chloro-N-(4-naphthalen-1-yloxybut-2-ynyl)propanamide has a molecular weight of 301.77 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-naphthalen-1-yloxybut-2-ynyl)propanamide is sourced from PubChem (CID 90578056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).