5-amino-3-chloro-2-[1-(furan-2-yl)ethylamino]benzamide

C13H14ClN3O2 — CID 107194018

IUPAC5-amino-3-chloro-2-[1-(furan-2-yl)ethylamino]benzamide
SMILESCC(Nc1c(Cl)cc(N)cc1C(N)=O)c1ccco1
InChIInChI=1S/C13H14ClN3O2/c1-7(11-3-2-4-19-11)17-12-9(13(16)18)5-8(15)6-10(12)14/h2-7,17H,15H2,1H3,(H2,16,18)
InChIKeyKOZBBMZGRMHWLU-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.79
Rot. Bonds4

About 5-amino-3-chloro-2-[1-(furan-2-yl)ethylamino]benzamide

5-amino-3-chloro-2-[1-(furan-2-yl)ethylamino]benzamide (PubChem CID 107194018) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[1-(furan-2-yl)ethylamino]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[1-(furan-2-yl)ethylamino]benzamide
PubChem CID107194018
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name5-amino-3-chloro-2-[1-(furan-2-yl)ethylamino]benzamide
SMILESCC(Nc1c(Cl)cc(N)cc1C(N)=O)c1ccco1
InChIInChI=1S/C13H14ClN3O2/c1-7(11-3-2-4-19-11)17-12-9(13(16)18)5-8(15)6-10(12)14/h2-7,17H,15H2,1H3,(H2,16,18)
InChIKeyKOZBBMZGRMHWLU-UHFFFAOYSA-N
XLogP2.79
TPSA94.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-3-chloro-2-[1-(furan-2-yl)ethylamino]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

5-amino-3-chloro-2-[1-(2-methylphenyl)ethylamino]benzamide
CID 107195073
5-amino-3-chloro-2-[1-(4-fluorophenyl)ethylamino]benzamide
CID 107195031
4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 43535392
5-amino-3-chloro-2-(3-methylpentan-2-ylamino)benzamide
CID 107194825
3-chloro-4-[1-(furan-2-yl)ethylamino]benzoic acid
CID 55182379
5-amino-3-chloro-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzamide
CID 107196988
5-amino-3-chloro-2-(4-ethylsulfanylbutan-2-ylamino)benzamide
CID 107196840
5-amino-3-chloro-2-(2-chloroanilino)benzamide
CID 107193224
2-amino-5-[1-(furan-2-yl)ethylamino]benzoic acid
CID 60989949
4-amino-3,5-dichloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 82795088
5-amino-3-chloro-2-(1-pyridin-3-ylethylamino)benzoic acid
CID 107193997
2-chloro-6-[1-(furan-2-yl)ethylamino]benzenecarbothioamide
CID 55079374

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[1-(furan-2-yl)ethylamino]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[1-(furan-2-yl)ethylamino]benzamide (CID 107194018) is 5-amino-3-chloro-2-[1-(furan-2-yl)ethylamino]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[1-(furan-2-yl)ethylamino]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[1-(furan-2-yl)ethylamino]benzamide is CC(Nc1c(Cl)cc(N)cc1C(N)=O)c1ccco1.
What is the InChIKey of 5-amino-3-chloro-2-[1-(furan-2-yl)ethylamino]benzamide?
The InChIKey is KOZBBMZGRMHWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-7(11-3-2-4-19-11)17-12-9(13(16)18)5-8(15)6-10(12)14/h2-7,17H,15H2,1H3,(H2,16,18).
What are the key properties of 5-amino-3-chloro-2-[1-(furan-2-yl)ethylamino]benzamide?
5-amino-3-chloro-2-[1-(furan-2-yl)ethylamino]benzamide has a molecular weight of 279.73 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-[1-(furan-2-yl)ethylamino]benzamide is sourced from PubChem (CID 107194018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).