N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]but-2-ynamide

C15H16ClNO2 — CID 146083807

IUPACN-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]but-2-ynamide
SMILESCC#CC(=O)NC1(Cc2ccc(Cl)cc2)CCOC1
InChIInChI=1S/C15H16ClNO2/c1-2-3-14(18)17-15(8-9-19-11-15)10-12-4-6-13(16)7-5-12/h4-7H,8-11H2,1H3,(H,17,18)
InChIKeyCDOKAHBHSVPKTF-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.18
Rot. Bonds3

About N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]but-2-ynamide

N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]but-2-ynamide (PubChem CID 146083807) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]but-2-ynamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]but-2-ynamide
PubChem CID146083807
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC NameN-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]but-2-ynamide
SMILESCC#CC(=O)NC1(Cc2ccc(Cl)cc2)CCOC1
InChIInChI=1S/C15H16ClNO2/c1-2-3-14(18)17-15(8-9-19-11-15)10-12-4-6-13(16)7-5-12/h4-7H,8-11H2,1H3,(H,17,18)
InChIKeyCDOKAHBHSVPKTF-UHFFFAOYSA-N
XLogP2.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.18
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

N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide
CID 138992555
N-[2-[[3-[(4-chlorophenyl)methyl]oxan-3-yl]amino]-2-oxoethyl]-N-methylprop-2-enamide
CID 166406806
2-chloro-N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]acetamide
CID 146076468
1-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 62718017
3-[(4-chlorophenyl)methyl]oxolan-3-amine
CID 65019655
N-[4-(hydroxymethyl)oxan-4-yl]-3-phenylprop-2-ynamide
CID 104630641
N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]-3-cyano-5-hydroxybenzamide
CID 154849787
(4R)-N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-4-morpholin-4-ylpentanamide
CID 125173595
N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-4-(3-cyano-3-methylazetidine-1-carbonyl)-5-methyl-1H-pyrrole-2-sulfonamide
CID 166007452
N-[4-(bromomethyl)oxan-4-yl]-4-chlorobenzamide
CID 106300976
4-chloro-N-[1-[[3-(2-hydroxyethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]benzamide
CID 119039762
2-(4-chlorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954312

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]but-2-ynamide?
The IUPAC name of N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]but-2-ynamide (CID 146083807) is N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]but-2-ynamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]but-2-ynamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]but-2-ynamide is CC#CC(=O)NC1(Cc2ccc(Cl)cc2)CCOC1.
What is the InChIKey of N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]but-2-ynamide?
The InChIKey is CDOKAHBHSVPKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-2-3-14(18)17-15(8-9-19-11-15)10-12-4-6-13(16)7-5-12/h4-7H,8-11H2,1H3,(H,17,18).
What are the key properties of N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]but-2-ynamide?
N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]but-2-ynamide has a molecular weight of 277.75 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]but-2-ynamide is sourced from PubChem (CID 146083807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).