N-[5-chloro-2-(3-phenylprop-2-ynoxy)phenyl]acetamide

C17H14ClNO2 — CID 11358491

IUPACN-[5-chloro-2-(3-phenylprop-2-ynoxy)phenyl]acetamide
SMILESCC(=O)Nc1cc(Cl)ccc1OCC#Cc1ccccc1
InChIInChI=1S/C17H14ClNO2/c1-13(20)19-16-12-15(18)9-10-17(16)21-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,11H2,1H3,(H,19,20)
InChIKeyYVZHMSFCPGMJMF-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.73
Rot. Bonds3

About N-[5-chloro-2-(3-phenylprop-2-ynoxy)phenyl]acetamide

N-[5-chloro-2-(3-phenylprop-2-ynoxy)phenyl]acetamide (PubChem CID 11358491) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is N-[5-chloro-2-(3-phenylprop-2-ynoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(3-phenylprop-2-ynoxy)phenyl]acetamide
PubChem CID11358491
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC NameN-[5-chloro-2-(3-phenylprop-2-ynoxy)phenyl]acetamide
SMILESCC(=O)Nc1cc(Cl)ccc1OCC#Cc1ccccc1
InChIInChI=1S/C17H14ClNO2/c1-13(20)19-16-12-15(18)9-10-17(16)21-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,11H2,1H3,(H,19,20)
InChIKeyYVZHMSFCPGMJMF-UHFFFAOYSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-acetamido-4-chlorophenoxy)acetic acid
CID 59772130
N-[2-(3-phenylprop-2-ynoxy)phenyl]benzamide
CID 11404659
1-chloro-4-[3-[2-(2-phenylethynyl)phenoxy]prop-1-ynyl]benzene
CID 72724381
[3-chloro-4-(3-phenylprop-2-ynoxy)phenyl]methanol
CID 62338839
2-(2-acetamidophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7867306
3-chloro-4-(3-phenylprop-2-ynoxy)benzonitrile
CID 62341231
N-(5-chloro-2-phenylphenyl)acetamide
CID 11425106
2-[2-(carbamoylamino)-4-chlorophenoxy]acetamide
CID 141161863
2-[2-(carbamoylamino)-4-chlorophenoxy]propanoic acid
CID 67538273
3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927898
1-(5-chloro-2-methoxyphenyl)-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]urea
CID 90553777
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 1193872

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(3-phenylprop-2-ynoxy)phenyl]acetamide?
The IUPAC name of N-[5-chloro-2-(3-phenylprop-2-ynoxy)phenyl]acetamide (CID 11358491) is N-[5-chloro-2-(3-phenylprop-2-ynoxy)phenyl]acetamide.
What is the SMILES notation for N-[5-chloro-2-(3-phenylprop-2-ynoxy)phenyl]acetamide?
The canonical SMILES for N-[5-chloro-2-(3-phenylprop-2-ynoxy)phenyl]acetamide is CC(=O)Nc1cc(Cl)ccc1OCC#Cc1ccccc1.
What is the InChIKey of N-[5-chloro-2-(3-phenylprop-2-ynoxy)phenyl]acetamide?
The InChIKey is YVZHMSFCPGMJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-13(20)19-16-12-15(18)9-10-17(16)21-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,11H2,1H3,(H,19,20).
What are the key properties of N-[5-chloro-2-(3-phenylprop-2-ynoxy)phenyl]acetamide?
N-[5-chloro-2-(3-phenylprop-2-ynoxy)phenyl]acetamide has a molecular weight of 299.76 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(3-phenylprop-2-ynoxy)phenyl]acetamide is sourced from PubChem (CID 11358491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).