N-(4-amino-2-bromophenyl)-2-methylfuran-3-carboxamide

C12H11BrN2O2 — CID 43549570

IUPACN-(4-amino-2-bromophenyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(N)cc1Br
InChIInChI=1S/C12H11BrN2O2/c1-7-9(4-5-17-7)12(16)15-11-3-2-8(14)6-10(11)13/h2-6H,14H2,1H3,(H,15,16)
InChIKeyNXENTUKLJQXWON-UHFFFAOYSA-N
MW295.14 g/mol
LogP3.19
Rot. Bonds2

About N-(4-amino-2-bromophenyl)-2-methylfuran-3-carboxamide

N-(4-amino-2-bromophenyl)-2-methylfuran-3-carboxamide (PubChem CID 43549570) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)-2-methylfuran-3-carboxamide
PubChem CID43549570
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC NameN-(4-amino-2-bromophenyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(N)cc1Br
InChIInChI=1S/C12H11BrN2O2/c1-7-9(4-5-17-7)12(16)15-11-3-2-8(14)6-10(11)13/h2-6H,14H2,1H3,(H,15,16)
InChIKeyNXENTUKLJQXWON-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-(4-amino-2-methoxyphenyl)-2-methylfuran-3-carboxamide
CID 16773170
N-[4-amino-2-(trifluoromethyl)phenyl]-2-methylfuran-3-carboxamide
CID 43548408
N-(4-amino-2-bromophenyl)-5-methylfuran-3-carboxamide
CID 114818644
N-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 81271612
N-(4-amino-2-bromophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 65151528
N-(4-amino-2-chlorophenyl)-2-bromofuran-3-carboxamide
CID 106850739
N-(2-amino-4,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide
CID 43549154
ethyl 3-bromo-4-[(2-bromofuran-3-carbonyl)amino]benzoate
CID 106853094
N-(4-amino-2-bromophenyl)-3-hydroxybenzamide
CID 43549560
5-amino-2-[(3-methylfuran-2-carbonyl)amino]benzoic acid
CID 63115795
5-amino-2-[(2-bromo-5-methylbenzoyl)amino]benzoic acid
CID 81111004
N-(4-amino-2-bromophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199281

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(4-amino-2-bromophenyl)-2-methylfuran-3-carboxamide (CID 43549570) is N-(4-amino-2-bromophenyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1ccc(N)cc1Br.
What is the InChIKey of N-(4-amino-2-bromophenyl)-2-methylfuran-3-carboxamide?
The InChIKey is NXENTUKLJQXWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-7-9(4-5-17-7)12(16)15-11-3-2-8(14)6-10(11)13/h2-6H,14H2,1H3,(H,15,16).
What are the key properties of N-(4-amino-2-bromophenyl)-2-methylfuran-3-carboxamide?
N-(4-amino-2-bromophenyl)-2-methylfuran-3-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-(4-amino-2-bromophenyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 43549570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).