N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]cyclopentanecarboxamide

C15H17ClN2O — CID 62910082

IUPACN-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]cyclopentanecarboxamide
SMILESNCC#Cc1ccc(Cl)c(NC(=O)C2CCCC2)c1
InChIInChI=1S/C15H17ClN2O/c16-13-8-7-11(4-3-9-17)10-14(13)18-15(19)12-5-1-2-6-12/h7-8,10,12H,1-2,5-6,9,17H2,(H,18,19)
InChIKeyIKKLOPFJUOXTKU-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.78
Rot. Bonds2

About N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]cyclopentanecarboxamide

N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]cyclopentanecarboxamide (PubChem CID 62910082) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]cyclopentanecarboxamide
PubChem CID62910082
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC NameN-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]cyclopentanecarboxamide
SMILESNCC#Cc1ccc(Cl)c(NC(=O)C2CCCC2)c1
InChIInChI=1S/C15H17ClN2O/c16-13-8-7-11(4-3-9-17)10-14(13)18-15(19)12-5-1-2-6-12/h7-8,10,12H,1-2,5-6,9,17H2,(H,18,19)
InChIKeyIKKLOPFJUOXTKU-UHFFFAOYSA-N
XLogP2.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-3-cyclohexylurea
CID 62908041
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107181414
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pyrrolidine-1-carboxamide
CID 79161052
methyl N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]carbamate
CID 62907703
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 107181329
N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]oxane-3-carboxamide
CID 62760338
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pentanamide
CID 62909232
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-4-methylpentanamide
CID 55131668
N-(2-chloro-5-methylphenyl)cyclohexanecarboxamide
CID 123821603
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-5-chlorothiophene-2-carboxamide
CID 62908898
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]cycloheptanecarboxamide
CID 62589276
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002367

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]cyclopentanecarboxamide?
The IUPAC name of N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]cyclopentanecarboxamide (CID 62910082) is N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]cyclopentanecarboxamide is NCC#Cc1ccc(Cl)c(NC(=O)C2CCCC2)c1.
What is the InChIKey of N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]cyclopentanecarboxamide?
The InChIKey is IKKLOPFJUOXTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c16-13-8-7-11(4-3-9-17)10-14(13)18-15(19)12-5-1-2-6-12/h7-8,10,12H,1-2,5-6,9,17H2,(H,18,19).
What are the key properties of N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]cyclopentanecarboxamide?
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]cyclopentanecarboxamide has a molecular weight of 276.77 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]cyclopentanecarboxamide is sourced from PubChem (CID 62910082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).