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

C12H11BrN2O2 — CID 43130501

IUPACN-(2-amino-4-bromophenyl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)cc2N)o1
InChIInChI=1S/C12H11BrN2O2/c1-7-2-5-11(17-7)12(16)15-10-4-3-8(13)6-9(10)14/h2-6H,14H2,1H3,(H,15,16)
InChIKeyMIUSCZQOFXFFNB-UHFFFAOYSA-N
MW295.14 g/mol
LogP3.19
Rot. Bonds2

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

N-(2-amino-4-bromophenyl)-5-methylfuran-2-carboxamide (PubChem CID 43130501) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is N-(2-amino-4-bromophenyl)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-bromophenyl)-5-methylfuran-2-carboxamide
PubChem CID43130501
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC NameN-(2-amino-4-bromophenyl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)cc2N)o1
InChIInChI=1S/C12H11BrN2O2/c1-7-2-5-11(17-7)12(16)15-10-4-3-8(13)6-9(10)14/h2-6H,14H2,1H3,(H,15,16)
InChIKeyMIUSCZQOFXFFNB-UHFFFAOYSA-N
XLogP3.19
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 53.19
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-methylphenyl)-5-methylfuran-2-carboxamide
CID 43259016
N-(2-amino-4,5-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 62098426
N-(2-amino-4-cyanophenyl)-5-methylfuran-2-carboxamide
CID 78965516
N-(2-amino-4-bromophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide
CID 91687510
4-bromo-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 54933050
N-(2-amino-4-bromophenyl)-5-(2-bromophenyl)furan-2-carboxamide
CID 91687442
N-(2-amino-4-bromophenyl)-5-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 91687495
N-(2-amino-4-bromophenyl)-2,4,6-trimethylbenzamide
CID 29008296
N-(2-amino-4-hydroxyphenyl)-5-chlorofuran-2-carboxamide
CID 107697705
N-[2-bromo-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-5-methylfuran-2-carboxamide
CID 107790393
N-(2-amino-4-bromophenyl)-2-(3,4-dimethylphenyl)acetamide
CID 62552957
4-bromo-3-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 107812493

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromophenyl)-5-methylfuran-2-carboxamide?
The IUPAC name of N-(2-amino-4-bromophenyl)-5-methylfuran-2-carboxamide (CID 43130501) is N-(2-amino-4-bromophenyl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-bromophenyl)-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(2-amino-4-bromophenyl)-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(Br)cc2N)o1.
What is the InChIKey of N-(2-amino-4-bromophenyl)-5-methylfuran-2-carboxamide?
The InChIKey is MIUSCZQOFXFFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-7-2-5-11(17-7)12(16)15-10-4-3-8(13)6-9(10)14/h2-6H,14H2,1H3,(H,15,16).
What are the key properties of N-(2-amino-4-bromophenyl)-5-methylfuran-2-carboxamide?
N-(2-amino-4-bromophenyl)-5-methylfuran-2-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 3.19, 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-bromophenyl)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 43130501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).