4-amino-3,5-dichloro-N-[1-(furan-2-yl)ethyl]benzamide

C13H12Cl2N2O2 — CID 82795088

IUPAC4-amino-3,5-dichloro-N-[1-(furan-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccco1
InChIInChI=1S/C13H12Cl2N2O2/c1-7(11-3-2-4-19-11)17-13(18)8-5-9(14)12(16)10(15)6-8/h2-7H,16H2,1H3,(H,17,18)
InChIKeyZWTBXSOOWDOOOA-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.66
Rot. Bonds3

About 4-amino-3,5-dichloro-N-[1-(furan-2-yl)ethyl]benzamide

4-amino-3,5-dichloro-N-[1-(furan-2-yl)ethyl]benzamide (PubChem CID 82795088) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-[1-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-[1-(furan-2-yl)ethyl]benzamide
PubChem CID82795088
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC Name4-amino-3,5-dichloro-N-[1-(furan-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccco1
InChIInChI=1S/C13H12Cl2N2O2/c1-7(11-3-2-4-19-11)17-13(18)8-5-9(14)12(16)10(15)6-8/h2-7H,16H2,1H3,(H,17,18)
InChIKeyZWTBXSOOWDOOOA-UHFFFAOYSA-N
XLogP3.66
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-3,5-dichloro-N-[1-(furan-2-yl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
CID 7995956
4-bromo-3-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 80965940
5,6-dichloro-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 43399464
4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 43535392
2-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 18116836
3,5-diacetamido-N-[1-(furan-2-yl)ethyl]benzamide
CID 18110352
3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid
CID 51704043
4-amino-3,5-dichloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide
CID 82812874
4-amino-3,5-dichloro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 82808709
N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide
CID 43402437
4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 82833170
4-chloro-N-[(1R)-1-(furan-2-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9482256

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-[1-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-[1-(furan-2-yl)ethyl]benzamide (CID 82795088) is 4-amino-3,5-dichloro-N-[1-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-[1-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-[1-(furan-2-yl)ethyl]benzamide is CC(NC(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccco1.
What is the InChIKey of 4-amino-3,5-dichloro-N-[1-(furan-2-yl)ethyl]benzamide?
The InChIKey is ZWTBXSOOWDOOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c1-7(11-3-2-4-19-11)17-13(18)8-5-9(14)12(16)10(15)6-8/h2-7H,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-3,5-dichloro-N-[1-(furan-2-yl)ethyl]benzamide?
4-amino-3,5-dichloro-N-[1-(furan-2-yl)ethyl]benzamide has a molecular weight of 299.16 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-[1-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 82795088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).