2-[(2-chlorophenyl)methylamino]-N-pentylpropanamide

C15H23ClN2O — CID 43112541

IUPAC2-[(2-chlorophenyl)methylamino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)NCc1ccccc1Cl
InChIInChI=1S/C15H23ClN2O/c1-3-4-7-10-17-15(19)12(2)18-11-13-8-5-6-9-14(13)16/h5-6,8-9,12,18H,3-4,7,10-11H2,1-2H3,(H,17,19)
InChIKeyBNODDFGWHBTISP-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.12
Rot. Bonds8

About 2-[(2-chlorophenyl)methylamino]-N-pentylpropanamide

2-[(2-chlorophenyl)methylamino]-N-pentylpropanamide (PubChem CID 43112541) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-N-pentylpropanamide
PubChem CID43112541
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-[(2-chlorophenyl)methylamino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)NCc1ccccc1Cl
InChIInChI=1S/C15H23ClN2O/c1-3-4-7-10-17-15(19)12(2)18-11-13-8-5-6-9-14(13)16/h5-6,8-9,12,18H,3-4,7,10-11H2,1-2H3,(H,17,19)
InChIKeyBNODDFGWHBTISP-UHFFFAOYSA-N
XLogP3.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-N-pentylpropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-N-pentylpropanamide (CID 43112541) is 2-[(2-chlorophenyl)methylamino]-N-pentylpropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-N-pentylpropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-N-pentylpropanamide is CCCCCNC(=O)C(C)NCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-N-pentylpropanamide?
The InChIKey is BNODDFGWHBTISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-3-4-7-10-17-15(19)12(2)18-11-13-8-5-6-9-14(13)16/h5-6,8-9,12,18H,3-4,7,10-11H2,1-2H3,(H,17,19).
What are the key properties of 2-[(2-chlorophenyl)methylamino]-N-pentylpropanamide?
2-[(2-chlorophenyl)methylamino]-N-pentylpropanamide has a molecular weight of 282.81 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-N-pentylpropanamide is sourced from PubChem (CID 43112541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).