2-amino-3-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide

C15H17ClN2O2 — CID 115540569

IUPAC2-amino-3-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
SMILESCc1cc(C(C)NC(=O)c2cccc(Cl)c2N)c(C)o1
InChIInChI=1S/C15H17ClN2O2/c1-8-7-12(10(3)20-8)9(2)18-15(19)11-5-4-6-13(16)14(11)17/h4-7,9H,17H2,1-3H3,(H,18,19)
InChIKeyGUDULGTXMDLBHE-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.62
Rot. Bonds3

About 2-amino-3-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide

2-amino-3-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide (PubChem CID 115540569) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-amino-3-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
PubChem CID115540569
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name2-amino-3-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
SMILESCc1cc(C(C)NC(=O)c2cccc(Cl)c2N)c(C)o1
InChIInChI=1S/C15H17ClN2O2/c1-8-7-12(10(3)20-8)9(2)18-15(19)11-5-4-6-13(16)14(11)17/h4-7,9H,17H2,1-3H3,(H,18,19)
InChIKeyGUDULGTXMDLBHE-UHFFFAOYSA-N
XLogP3.62
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 103989173
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-hydroxy-2-methylbenzamide
CID 82829104
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-iodobenzamide
CID 47442999
2-amino-3-chloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 115540155
2-amino-3-chloro-N-(1-phenylethyl)benzamide
CID 82546896
2-amino-3-chloro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 115540519
2-amino-3-chloro-N-(4-methylpentan-2-yl)benzamide
CID 113331662
N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylsulfonylbenzamide
CID 94799638
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-chlorobenzamide
CID 107868800
N-[1-(2-aminophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 43297842
2,5-dibromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 114372113
N-[1-(2,4-dichlorophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 4876390

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide?
The IUPAC name of 2-amino-3-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide (CID 115540569) is 2-amino-3-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide?
The canonical SMILES for 2-amino-3-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide is Cc1cc(C(C)NC(=O)c2cccc(Cl)c2N)c(C)o1.
What is the InChIKey of 2-amino-3-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide?
The InChIKey is GUDULGTXMDLBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-8-7-12(10(3)20-8)9(2)18-15(19)11-5-4-6-13(16)14(11)17/h4-7,9H,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-3-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide?
2-amino-3-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide has a molecular weight of 292.77 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide is sourced from PubChem (CID 115540569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).