N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethylamino)propanamide

C15H17ClN2O2 — CID 109018586

IUPACN-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethylamino)propanamide
SMILESO=C(CCNCc1ccco1)NCc1ccccc1Cl
InChIInChI=1S/C15H17ClN2O2/c16-14-6-2-1-4-12(14)10-18-15(19)7-8-17-11-13-5-3-9-20-13/h1-6,9,17H,7-8,10-11H2,(H,18,19)
InChIKeyXSXQBPKVZVTNTB-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.73
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethylamino)propanamide

N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethylamino)propanamide (PubChem CID 109018586) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethylamino)propanamide
PubChem CID109018586
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethylamino)propanamide
SMILESO=C(CCNCc1ccco1)NCc1ccccc1Cl
InChIInChI=1S/C15H17ClN2O2/c16-14-6-2-1-4-12(14)10-18-15(19)7-8-17-11-13-5-3-9-20-13/h1-6,9,17H,7-8,10-11H2,(H,18,19)
InChIKeyXSXQBPKVZVTNTB-UHFFFAOYSA-N
XLogP2.73
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(furan-2-ylmethylamino)acetamide
CID 54818991
2-(2-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 24550973
N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019248
N-butyl-3-(furan-2-ylmethylamino)propanamide
CID 109012191
3-(furan-2-ylmethylamino)-N-prop-2-enylpropanamide
CID 109011813
2-[(2-chlorophenyl)methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 22299375
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
2-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 2082030
N-(1,3-benzodioxol-5-ylmethyl)-3-(furan-2-ylmethylamino)propanamide
CID 109018590
N-[(2-chlorophenyl)methyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide
CID 9165300
3-(furan-2-ylmethylamino)-N-propan-2-ylpropanamide
CID 60765510
N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019580

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethylamino)propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethylamino)propanamide (CID 109018586) is N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethylamino)propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethylamino)propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethylamino)propanamide is O=C(CCNCc1ccco1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethylamino)propanamide?
The InChIKey is XSXQBPKVZVTNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-14-6-2-1-4-12(14)10-18-15(19)7-8-17-11-13-5-3-9-20-13/h1-6,9,17H,7-8,10-11H2,(H,18,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethylamino)propanamide?
N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethylamino)propanamide has a molecular weight of 292.77 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethylamino)propanamide is sourced from PubChem (CID 109018586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).