2-(3,5-dichloroanilino)-N-(furan-2-ylmethyl)acetamide

C13H12Cl2N2O2 — CID 31666642

IUPAC2-(3,5-dichloroanilino)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CNc1cc(Cl)cc(Cl)c1)NCc1ccco1
InChIInChI=1S/C13H12Cl2N2O2/c14-9-4-10(15)6-11(5-9)16-8-13(18)17-7-12-2-1-3-19-12/h1-6,16H,7-8H2,(H,17,18)
InChIKeyHWDJLEJVWDVSOS-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.31
Rot. Bonds5

About 2-(3,5-dichloroanilino)-N-(furan-2-ylmethyl)acetamide

2-(3,5-dichloroanilino)-N-(furan-2-ylmethyl)acetamide (PubChem CID 31666642) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is 2-(3,5-dichloroanilino)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dichloroanilino)-N-(furan-2-ylmethyl)acetamide
PubChem CID31666642
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC Name2-(3,5-dichloroanilino)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CNc1cc(Cl)cc(Cl)c1)NCc1ccco1
InChIInChI=1S/C13H12Cl2N2O2/c14-9-4-10(15)6-11(5-9)16-8-13(18)17-7-12-2-1-3-19-12/h1-6,16H,7-8H2,(H,17,18)
InChIKeyHWDJLEJVWDVSOS-UHFFFAOYSA-N
XLogP3.31
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylanilino)-N-(furan-2-ylmethyl)acetamide
CID 37465954
2-(4-acetylanilino)-N-(furan-2-ylmethyl)acetamide
CID 31664817
N-[4-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835371
2-(1,3-benzodioxol-5-ylamino)-N-(furan-2-ylmethyl)acetamide
CID 108996348
N-[3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833230
3-[[2-(3-chloroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54809268
2-(3-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide
CID 31666412
4-chloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
CID 18150991
3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834815
2-[(3,4-dichlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)acetamide
CID 18101847
2-(2-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 24550973
2-[(2-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 38254498

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloroanilino)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3,5-dichloroanilino)-N-(furan-2-ylmethyl)acetamide (CID 31666642) is 2-(3,5-dichloroanilino)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,5-dichloroanilino)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3,5-dichloroanilino)-N-(furan-2-ylmethyl)acetamide is O=C(CNc1cc(Cl)cc(Cl)c1)NCc1ccco1.
What is the InChIKey of 2-(3,5-dichloroanilino)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is HWDJLEJVWDVSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c14-9-4-10(15)6-11(5-9)16-8-13(18)17-7-12-2-1-3-19-12/h1-6,16H,7-8H2,(H,17,18).
What are the key properties of 2-(3,5-dichloroanilino)-N-(furan-2-ylmethyl)acetamide?
2-(3,5-dichloroanilino)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 299.16 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloroanilino)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 31666642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).