N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]oxolane-3-carboxamide

C14H15ClN2O2 — CID 81271078

IUPACN-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]oxolane-3-carboxamide
SMILESNCC#Cc1cc(Cl)ccc1NC(=O)C1CCOC1
InChIInChI=1S/C14H15ClN2O2/c15-12-3-4-13(10(8-12)2-1-6-16)17-14(18)11-5-7-19-9-11/h3-4,8,11H,5-7,9,16H2,(H,17,18)
InChIKeyCWEPUEQEFHDUDC-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.63
Rot. Bonds2

About N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]oxolane-3-carboxamide

N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]oxolane-3-carboxamide (PubChem CID 81271078) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]oxolane-3-carboxamide
PubChem CID81271078
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC NameN-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]oxolane-3-carboxamide
SMILESNCC#Cc1cc(Cl)ccc1NC(=O)C1CCOC1
InChIInChI=1S/C14H15ClN2O2/c15-12-3-4-13(10(8-12)2-1-6-16)17-14(18)11-5-7-19-9-11/h3-4,8,11H,5-7,9,16H2,(H,17,18)
InChIKeyCWEPUEQEFHDUDC-UHFFFAOYSA-N
XLogP1.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-1,4-dioxane-2-carboxamide
CID 81270841
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]thiolane-3-carboxamide
CID 81270599
N-(4-chloro-2-iodophenyl)oxolane-3-carboxamide
CID 103766842
N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]cyclopropanecarboxamide
CID 81263993
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]oxane-3-carboxamide
CID 104780879
1-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-cyclohexylurea
CID 81280608
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]oxane-4-carboxamide
CID 65438048
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]cycloheptanecarboxamide
CID 62589276
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]oxane-4-sulfonamide
CID 81280588
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]oxolane-3-carboxamide
CID 81293122
N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]oxane-3-carboxamide
CID 62760338
N-(2-bromo-4-chlorophenyl)oxane-3-carboxamide
CID 81028663

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]oxolane-3-carboxamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]oxolane-3-carboxamide (CID 81271078) is N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]oxolane-3-carboxamide is NCC#Cc1cc(Cl)ccc1NC(=O)C1CCOC1.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]oxolane-3-carboxamide?
The InChIKey is CWEPUEQEFHDUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-12-3-4-13(10(8-12)2-1-6-16)17-14(18)11-5-7-19-9-11/h3-4,8,11H,5-7,9,16H2,(H,17,18).
What are the key properties of N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]oxolane-3-carboxamide?
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]oxolane-3-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]oxolane-3-carboxamide is sourced from PubChem (CID 81271078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).