N-(2-amino-4-chlorophenyl)-3-cyclopentyloxypropanamide

C14H19ClN2O2 — CID 16794047

IUPACN-(2-amino-4-chlorophenyl)-3-cyclopentyloxypropanamide
SMILESNc1cc(Cl)ccc1NC(=O)CCOC1CCCC1
InChIInChI=1S/C14H19ClN2O2/c15-10-5-6-13(12(16)9-10)17-14(18)7-8-19-11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,16H2,(H,17,18)
InChIKeyISBWEGISGSXPBE-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.21
Rot. Bonds5

About N-(2-amino-4-chlorophenyl)-3-cyclopentyloxypropanamide

N-(2-amino-4-chlorophenyl)-3-cyclopentyloxypropanamide (PubChem CID 16794047) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-3-cyclopentyloxypropanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-3-cyclopentyloxypropanamide
PubChem CID16794047
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-(2-amino-4-chlorophenyl)-3-cyclopentyloxypropanamide
SMILESNc1cc(Cl)ccc1NC(=O)CCOC1CCCC1
InChIInChI=1S/C14H19ClN2O2/c15-10-5-6-13(12(16)9-10)17-14(18)7-8-19-11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,16H2,(H,17,18)
InChIKeyISBWEGISGSXPBE-UHFFFAOYSA-N
XLogP3.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-chlorophenyl)-4-cyclohexyloxybutanamide
CID 28549857
N-(2-amino-5-chlorophenyl)-3-cyclopentyloxypropanamide
CID 16792672
N-[2-amino-4-(trifluoromethyl)phenyl]-3-cyclobutyloxypropanamide
CID 62116305
4-chloro-1-N-(2-cyclohexyloxyethyl)benzene-1,2-diamine
CID 63826034
N-(2-amino-5-chlorophenyl)-2-cyclopentyloxyacetamide
CID 16793284
N-(2-amino-4-chlorophenyl)-4-(oxolan-3-yloxy)butanamide
CID 63556620
N-(3-amino-4-fluorophenyl)-3-cyclohexyloxypropanamide
CID 16787247
N-(2-amino-5-chlorophenyl)-2-cycloheptyloxyacetamide
CID 61069352
N-(2-amino-4-chlorophenyl)-4-(2-cyclobutylethoxy)butanamide
CID 106200088
N-(4-amino-2-chlorophenyl)-4-cyclobutyloxybutanamide
CID 62116153
N-(2-amino-4-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
CID 43372578
N-(5-amino-2-methylphenyl)-3-cyclobutyloxypropanamide
CID 62116315

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-3-cyclopentyloxypropanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-3-cyclopentyloxypropanamide (CID 16794047) is N-(2-amino-4-chlorophenyl)-3-cyclopentyloxypropanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-3-cyclopentyloxypropanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-3-cyclopentyloxypropanamide is Nc1cc(Cl)ccc1NC(=O)CCOC1CCCC1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-3-cyclopentyloxypropanamide?
The InChIKey is ISBWEGISGSXPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-10-5-6-13(12(16)9-10)17-14(18)7-8-19-11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,16H2,(H,17,18).
What are the key properties of N-(2-amino-4-chlorophenyl)-3-cyclopentyloxypropanamide?
N-(2-amino-4-chlorophenyl)-3-cyclopentyloxypropanamide has a molecular weight of 282.77 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-3-cyclopentyloxypropanamide is sourced from PubChem (CID 16794047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).