N-(2-amino-4-methylphenyl)-5-methylfuran-2-carboxamide

C13H14N2O2 — CID 43259016

IUPACN-(2-amino-4-methylphenyl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(C)o2)c(N)c1
InChIInChI=1S/C13H14N2O2/c1-8-3-5-11(10(14)7-8)15-13(16)12-6-4-9(2)17-12/h3-7H,14H2,1-2H3,(H,15,16)
InChIKeyRWWPYMCDBFYWQR-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.73
Rot. Bonds2

About N-(2-amino-4-methylphenyl)-5-methylfuran-2-carboxamide

N-(2-amino-4-methylphenyl)-5-methylfuran-2-carboxamide (PubChem CID 43259016) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-5-methylfuran-2-carboxamide
PubChem CID43259016
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-(2-amino-4-methylphenyl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(C)o2)c(N)c1
InChIInChI=1S/C13H14N2O2/c1-8-3-5-11(10(14)7-8)15-13(16)12-6-4-9(2)17-12/h3-7H,14H2,1-2H3,(H,15,16)
InChIKeyRWWPYMCDBFYWQR-UHFFFAOYSA-N
XLogP2.73
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.73
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

N-(2-amino-4-bromophenyl)-5-methylfuran-2-carboxamide
CID 43130501
N-(2-amino-4,5-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 62098426
N-(2-amino-4-cyanophenyl)-5-methylfuran-2-carboxamide
CID 78965516
5-amino-N-(2-hydroxy-4-methylphenyl)furan-2-carboxamide
CID 82344285
N-(2-amino-5-methylphenyl)-5-ethylfuran-2-carboxamide
CID 112557315
N-(2-amino-4-bromophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide
CID 91687510
N-(2-fluorophenyl)-5-methylfuran-2-carboxamide
CID 3297570
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-5-methylfuran-2-carboxamide
CID 82766349
N-(3-amino-2,6-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 28776911
N-(2-carbamothioyl-4-fluorophenyl)-5-methylfuran-2-carboxamide
CID 82016661
5-fluoro-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 28779501
5-ethyl-N-(2-hydroxy-4-methylphenyl)furan-2-carboxamide
CID 112726930

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-5-methylfuran-2-carboxamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-5-methylfuran-2-carboxamide (CID 43259016) is N-(2-amino-4-methylphenyl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-5-methylfuran-2-carboxamide is Cc1ccc(NC(=O)c2ccc(C)o2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-5-methylfuran-2-carboxamide?
The InChIKey is RWWPYMCDBFYWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-3-5-11(10(14)7-8)15-13(16)12-6-4-9(2)17-12/h3-7H,14H2,1-2H3,(H,15,16).
What are the key properties of N-(2-amino-4-methylphenyl)-5-methylfuran-2-carboxamide?
N-(2-amino-4-methylphenyl)-5-methylfuran-2-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 43259016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).