N-(3-amino-2-methylphenyl)furan-2-carboxamide

C12H12N2O2 — CID 16775861

IUPACN-(3-amino-2-methylphenyl)furan-2-carboxamide
SMILESCc1c(N)cccc1NC(=O)c1ccco1
InChIInChI=1S/C12H12N2O2/c1-8-9(13)4-2-5-10(8)14-12(15)11-6-3-7-16-11/h2-7H,13H2,1H3,(H,14,15)
InChIKeyQSUQHAJJMFMPOJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.42
Rot. Bonds2

About N-(3-amino-2-methylphenyl)furan-2-carboxamide

N-(3-amino-2-methylphenyl)furan-2-carboxamide (PubChem CID 16775861) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)furan-2-carboxamide
PubChem CID16775861
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC NameN-(3-amino-2-methylphenyl)furan-2-carboxamide
SMILESCc1c(N)cccc1NC(=O)c1ccco1
InChIInChI=1S/C12H12N2O2/c1-8-9(13)4-2-5-10(8)14-12(15)11-6-3-7-16-11/h2-7H,13H2,1H3,(H,14,15)
InChIKeyQSUQHAJJMFMPOJ-UHFFFAOYSA-N
XLogP2.42
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.42
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-(3-hydroxy-2-methylphenyl)furan-2-carboxamide
CID 64792711
N-(3-azido-2-methylphenyl)furan-2-carboxamide
CID 169324992
N-(2-hydroxyphenyl)furan-2-carboxamide
CID 761889
N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide
CID 168516704
N-(4-aminonaphthalen-1-yl)furan-2-carboxamide
CID 54481080
N-[5-[(2,3-dimethylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 29284081
N-(2-ethylphenyl)furan-2-carboxamide
CID 763274
N-(3-amino-2-methylphenyl)-4-ethylbenzamide
CID 18072928
N-[3-(5-formylfuran-2-yl)-2-methylphenyl]furan-2-carboxamide
CID 169332635
N-[2-[(2-aminoacetyl)amino]phenyl]furan-2-carboxamide
CID 39184130
N-(2,6-diamino-3-pyridinyl)furan-2-carboxamide
CID 110178922
3-amino-4-(furan-2-carbonylamino)benzoic acid
CID 63117282

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)furan-2-carboxamide?
The IUPAC name of N-(3-amino-2-methylphenyl)furan-2-carboxamide (CID 16775861) is N-(3-amino-2-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)furan-2-carboxamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)furan-2-carboxamide is Cc1c(N)cccc1NC(=O)c1ccco1.
What is the InChIKey of N-(3-amino-2-methylphenyl)furan-2-carboxamide?
The InChIKey is QSUQHAJJMFMPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-9(13)4-2-5-10(8)14-12(15)11-6-3-7-16-11/h2-7H,13H2,1H3,(H,14,15).
What are the key properties of N-(3-amino-2-methylphenyl)furan-2-carboxamide?
N-(3-amino-2-methylphenyl)furan-2-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 16775861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).