N-(4-amino-2-chlorophenyl)-2-bromofuran-3-carboxamide

C11H8BrClN2O2 — CID 106850739

IUPACN-(4-amino-2-chlorophenyl)-2-bromofuran-3-carboxamide
SMILESNc1ccc(NC(=O)c2ccoc2Br)c(Cl)c1
InChIInChI=1S/C11H8BrClN2O2/c12-10-7(3-4-17-10)11(16)15-9-2-1-6(14)5-8(9)13/h1-5H,14H2,(H,15,16)
InChIKeyVKEOMMIBGLWMNU-UHFFFAOYSA-N
MW315.55 g/mol
LogP3.53
Rot. Bonds2

About N-(4-amino-2-chlorophenyl)-2-bromofuran-3-carboxamide

N-(4-amino-2-chlorophenyl)-2-bromofuran-3-carboxamide (PubChem CID 106850739) has the molecular formula C11H8BrClN2O2 and a molecular weight of 315.55 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-bromofuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-bromofuran-3-carboxamide
PubChem CID106850739
Molecular FormulaC11H8BrClN2O2
Molecular Weight315.55 g/mol
Exact Mass313.95
IUPAC NameN-(4-amino-2-chlorophenyl)-2-bromofuran-3-carboxamide
SMILESNc1ccc(NC(=O)c2ccoc2Br)c(Cl)c1
InChIInChI=1S/C11H8BrClN2O2/c12-10-7(3-4-17-10)11(16)15-9-2-1-6(14)5-8(9)13/h1-5H,14H2,(H,15,16)
InChIKeyVKEOMMIBGLWMNU-UHFFFAOYSA-N
XLogP3.53
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.55
LogP ≤ 53.53
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-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43378801
5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347151
2-bromo-N-(4-chloro-2-iodophenyl)furan-3-carboxamide
CID 106899056
4-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347149
N-(4-amino-2-chlorophenyl)-2-chlorobenzamide
CID 960633
2-bromo-N-(2,3-dichlorophenyl)furan-3-carboxamide
CID 106852540
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458
2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]furan-3-carboxamide
CID 106853250
N-(4-amino-2-bromophenyl)-2-methylfuran-3-carboxamide
CID 43549570
N-[4-amino-2-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106683164
methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-chlorobenzoate
CID 106852836
N-(4-amino-2-chlorophenyl)-5-methylfuran-3-carboxamide
CID 114818567

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-bromofuran-3-carboxamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-bromofuran-3-carboxamide (CID 106850739) is N-(4-amino-2-chlorophenyl)-2-bromofuran-3-carboxamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-bromofuran-3-carboxamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-bromofuran-3-carboxamide is Nc1ccc(NC(=O)c2ccoc2Br)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-bromofuran-3-carboxamide?
The InChIKey is VKEOMMIBGLWMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O2/c12-10-7(3-4-17-10)11(16)15-9-2-1-6(14)5-8(9)13/h1-5H,14H2,(H,15,16).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-bromofuran-3-carboxamide?
N-(4-amino-2-chlorophenyl)-2-bromofuran-3-carboxamide has a molecular weight of 315.55 g/mol, XLogP of 3.53, 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-chlorophenyl)-2-bromofuran-3-carboxamide is sourced from PubChem (CID 106850739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).