N-[2-(3-chlorophenyl)ethyl]-N'-cyclopentyloxamide

C15H19ClN2O2 — CID 108984045

IUPACN-[2-(3-chlorophenyl)ethyl]-N'-cyclopentyloxamide
SMILESO=C(NCCc1cccc(Cl)c1)C(=O)NC1CCCC1
InChIInChI=1S/C15H19ClN2O2/c16-12-5-3-4-11(10-12)8-9-17-14(19)15(20)18-13-6-1-2-7-13/h3-5,10,13H,1-2,6-9H2,(H,17,19)(H,18,20)
InChIKeyMUSSNZDBNGHRPT-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.06
Rot. Bonds4

About N-[2-(3-chlorophenyl)ethyl]-N'-cyclopentyloxamide

N-[2-(3-chlorophenyl)ethyl]-N'-cyclopentyloxamide (PubChem CID 108984045) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-N'-cyclopentyloxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-N'-cyclopentyloxamide
PubChem CID108984045
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-N'-cyclopentyloxamide
SMILESO=C(NCCc1cccc(Cl)c1)C(=O)NC1CCCC1
InChIInChI=1S/C15H19ClN2O2/c16-12-5-3-4-11(10-12)8-9-17-14(19)15(20)18-13-6-1-2-7-13/h3-5,10,13H,1-2,6-9H2,(H,17,19)(H,18,20)
InChIKeyMUSSNZDBNGHRPT-UHFFFAOYSA-N
XLogP2.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-[2-(3-chlorophenyl)ethyl]-1-N-cycloheptylcyclopropane-1,2-dicarboxamide
CID 109139702
cis-(1S,2R)-2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 898467
5-[2-(3-chlorophenyl)ethylamino]-N-cyclohexylpyridine-2-carboxamide
CID 109182977
2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974491
N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 4550942
N-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 61276083
4-(3-chlorophenyl)-N-[2-(cyclohexylamino)-2-oxoethyl]butanamide
CID 110625244
6-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyridazine-3-carboxamide
CID 109112342
4-N-[2-(3-chlorophenyl)ethyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078681
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyrimidine-4-carboxamide
CID 109298111
N'-cyclododecyl-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 108517458
N-[2-(3-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341274

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-N'-cyclopentyloxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-N'-cyclopentyloxamide (CID 108984045) is N-[2-(3-chlorophenyl)ethyl]-N'-cyclopentyloxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-N'-cyclopentyloxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-N'-cyclopentyloxamide is O=C(NCCc1cccc(Cl)c1)C(=O)NC1CCCC1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-N'-cyclopentyloxamide?
The InChIKey is MUSSNZDBNGHRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c16-12-5-3-4-11(10-12)8-9-17-14(19)15(20)18-13-6-1-2-7-13/h3-5,10,13H,1-2,6-9H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-N'-cyclopentyloxamide?
N-[2-(3-chlorophenyl)ethyl]-N'-cyclopentyloxamide has a molecular weight of 294.78 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-N'-cyclopentyloxamide is sourced from PubChem (CID 108984045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).