N-[3-(3-chlorophenyl)prop-2-ynyl]-2-cyclopentylacetamide

C16H18ClNO — CID 90548372

IUPACN-[3-(3-chlorophenyl)prop-2-ynyl]-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)NCC#Cc1cccc(Cl)c1
InChIInChI=1S/C16H18ClNO/c17-15-9-3-7-13(11-15)8-4-10-18-16(19)12-14-5-1-2-6-14/h3,7,9,11,14H,1-2,5-6,10,12H2,(H,18,19)
InChIKeyBGIVZAZSLGKKJG-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.39
Rot. Bonds3

About N-[3-(3-chlorophenyl)prop-2-ynyl]-2-cyclopentylacetamide

N-[3-(3-chlorophenyl)prop-2-ynyl]-2-cyclopentylacetamide (PubChem CID 90548372) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)prop-2-ynyl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)prop-2-ynyl]-2-cyclopentylacetamide
PubChem CID90548372
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC NameN-[3-(3-chlorophenyl)prop-2-ynyl]-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)NCC#Cc1cccc(Cl)c1
InChIInChI=1S/C16H18ClNO/c17-15-9-3-7-13(11-15)8-4-10-18-16(19)12-14-5-1-2-6-14/h3,7,9,11,14H,1-2,5-6,10,12H2,(H,18,19)
InChIKeyBGIVZAZSLGKKJG-UHFFFAOYSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-(3-chlorophenyl)prop-2-ynyl]acetamide
CID 114777655
3-chloro-N-[3-(3-chlorophenyl)prop-2-ynyl]propanamide
CID 90548377
4-bromo-N-[3-(3-chlorophenyl)prop-2-ynyl]butanamide
CID 90548493
N-[3-(3-chlorophenyl)prop-2-ynyl]-4-phenylbutanamide
CID 90548466
3-cyclopentyl-N-(3-phenylprop-2-ynyl)propanamide
CID 56807333
1-[2-[2-(3-chlorophenyl)ethynyl]-1,3-thiazol-5-yl]-2-cyclopentylethanone
CID 58227437
N-[3-(3-chlorophenyl)prop-2-ynyl]-2-propylpentanamide
CID 90548362
ethyl 2-[3-(3-chlorophenyl)prop-2-ynylamino]-2-oxoacetate
CID 90548374
3-bromo-N-[3-(3-chlorophenyl)prop-2-ynyl]benzamide
CID 90548409
2-bromo-N-[3-(3-chlorophenyl)prop-2-ynyl]benzamide
CID 90548408
N-but-2-ynyl-2-cyclopentylacetamide
CID 130621524
N-[3-(3-chlorophenyl)prop-2-ynyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 90548552

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)prop-2-ynyl]-2-cyclopentylacetamide?
The IUPAC name of N-[3-(3-chlorophenyl)prop-2-ynyl]-2-cyclopentylacetamide (CID 90548372) is N-[3-(3-chlorophenyl)prop-2-ynyl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)prop-2-ynyl]-2-cyclopentylacetamide?
The canonical SMILES for N-[3-(3-chlorophenyl)prop-2-ynyl]-2-cyclopentylacetamide is O=C(CC1CCCC1)NCC#Cc1cccc(Cl)c1.
What is the InChIKey of N-[3-(3-chlorophenyl)prop-2-ynyl]-2-cyclopentylacetamide?
The InChIKey is BGIVZAZSLGKKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c17-15-9-3-7-13(11-15)8-4-10-18-16(19)12-14-5-1-2-6-14/h3,7,9,11,14H,1-2,5-6,10,12H2,(H,18,19).
What are the key properties of N-[3-(3-chlorophenyl)prop-2-ynyl]-2-cyclopentylacetamide?
N-[3-(3-chlorophenyl)prop-2-ynyl]-2-cyclopentylacetamide has a molecular weight of 275.78 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)prop-2-ynyl]-2-cyclopentylacetamide is sourced from PubChem (CID 90548372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).