N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide

C14H12Cl2N2O3 — CID 6490902

IUPACN-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccco1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O3/c15-10-4-3-9(8-11(10)16)13(19)17-5-6-18-14(20)12-2-1-7-21-12/h1-4,7-8H,5-6H2,(H,17,19)(H,18,20)
InChIKeyDTGOEPCBHLKBNP-UHFFFAOYSA-N
MW327.17 g/mol
LogP2.75
Rot. Bonds5

About N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide

N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide (PubChem CID 6490902) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide
PubChem CID6490902
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC NameN-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccco1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O3/c15-10-4-3-9(8-11(10)16)13(19)17-5-6-18-14(20)12-2-1-7-21-12/h1-4,7-8H,5-6H2,(H,17,19)(H,18,20)
InChIKeyDTGOEPCBHLKBNP-UHFFFAOYSA-N
XLogP2.75
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 52.75
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

3,4-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 110889301
N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]furan-2-carboxamide
CID 126180652
N-[2-[(4-phenylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 30797782
N-[2-[(4-ethylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 134052250
N-[2-[(3,4,5-trihydroxybenzoyl)amino]ethyl]furan-2-carboxamide
CID 108538997
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide
CID 34819338
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]furan-2-carboxamide
CID 113071927
3,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496972
3,4-dichloro-N-[2-(3-chloropropanoylamino)ethyl]benzamide
CID 108570669

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide (CID 6490902) is N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide is O=C(NCCNC(=O)c1ccco1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide?
The InChIKey is DTGOEPCBHLKBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c15-10-4-3-9(8-11(10)16)13(19)17-5-6-18-14(20)12-2-1-7-21-12/h1-4,7-8H,5-6H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide?
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide has a molecular weight of 327.17 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 6490902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).