N-[3-[(2,5-dichlorobenzoyl)amino]propyl]furan-2-carboxamide

C15H14Cl2N2O3 — CID 6490899

IUPACN-[3-[(2,5-dichlorobenzoyl)amino]propyl]furan-2-carboxamide
SMILESO=C(NCCCNC(=O)c1cc(Cl)ccc1Cl)c1ccco1
InChIInChI=1S/C15H14Cl2N2O3/c16-10-4-5-12(17)11(9-10)14(20)18-6-2-7-19-15(21)13-3-1-8-22-13/h1,3-5,8-9H,2,6-7H2,(H,18,20)(H,19,21)
InChIKeyYIKUQVBFQJPDEV-UHFFFAOYSA-N
MW341.19 g/mol
LogP3.14
Rot. Bonds6

About N-[3-[(2,5-dichlorobenzoyl)amino]propyl]furan-2-carboxamide

N-[3-[(2,5-dichlorobenzoyl)amino]propyl]furan-2-carboxamide (PubChem CID 6490899) has the molecular formula C15H14Cl2N2O3 and a molecular weight of 341.19 g/mol. Its IUPAC name is N-[3-[(2,5-dichlorobenzoyl)amino]propyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,5-dichlorobenzoyl)amino]propyl]furan-2-carboxamide
PubChem CID6490899
Molecular FormulaC15H14Cl2N2O3
Molecular Weight341.19 g/mol
Exact Mass340.04
IUPAC NameN-[3-[(2,5-dichlorobenzoyl)amino]propyl]furan-2-carboxamide
SMILESO=C(NCCCNC(=O)c1cc(Cl)ccc1Cl)c1ccco1
InChIInChI=1S/C15H14Cl2N2O3/c16-10-4-5-12(17)11(9-10)14(20)18-6-2-7-19-15(21)13-3-1-8-22-13/h1,3-5,8-9H,2,6-7H2,(H,18,20)(H,19,21)
InChIKeyYIKUQVBFQJPDEV-UHFFFAOYSA-N
XLogP3.14
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 53.14
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

CID 1367315
CID 1367315
CID 2302650
CID 2302650
CID 347531
CID 347531
CID 682699
CID 682699
CID 879551
CID 879551
CID 888361
CID 888361
CID 944598
CID 944598
CID 952243
CID 952243
CID 1084406
CID 1084406
CID 2206515
CID 2206515
CID 2343968
CID 2343968
CID 2430380
CID 2430380

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5-dichlorobenzoyl)amino]propyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(2,5-dichlorobenzoyl)amino]propyl]furan-2-carboxamide (CID 6490899) is N-[3-[(2,5-dichlorobenzoyl)amino]propyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(2,5-dichlorobenzoyl)amino]propyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(2,5-dichlorobenzoyl)amino]propyl]furan-2-carboxamide is O=C(NCCCNC(=O)c1cc(Cl)ccc1Cl)c1ccco1.
What is the InChIKey of N-[3-[(2,5-dichlorobenzoyl)amino]propyl]furan-2-carboxamide?
The InChIKey is YIKUQVBFQJPDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3/c16-10-4-5-12(17)11(9-10)14(20)18-6-2-7-19-15(21)13-3-1-8-22-13/h1,3-5,8-9H,2,6-7H2,(H,18,20)(H,19,21).
What are the key properties of N-[3-[(2,5-dichlorobenzoyl)amino]propyl]furan-2-carboxamide?
N-[3-[(2,5-dichlorobenzoyl)amino]propyl]furan-2-carboxamide has a molecular weight of 341.19 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5-dichlorobenzoyl)amino]propyl]furan-2-carboxamide is sourced from PubChem (CID 6490899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).