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

C11H8BrClN2O2 — CID 106683097

IUPACN-(2-amino-4-bromophenyl)-2-chlorofuran-3-carboxamide
SMILESNc1cc(Br)ccc1NC(=O)c1ccoc1Cl
InChIInChI=1S/C11H8BrClN2O2/c12-6-1-2-9(8(14)5-6)15-11(16)7-3-4-17-10(7)13/h1-5H,14H2,(H,15,16)
InChIKeyIHZSZKOXEGRBTJ-UHFFFAOYSA-N
MW315.55 g/mol
LogP3.53
Rot. Bonds2

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

N-(2-amino-4-bromophenyl)-2-chlorofuran-3-carboxamide (PubChem CID 106683097) has the molecular formula C11H8BrClN2O2 and a molecular weight of 315.55 g/mol. Its IUPAC name is N-(2-amino-4-bromophenyl)-2-chlorofuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-bromophenyl)-2-chlorofuran-3-carboxamide
PubChem CID106683097
Molecular FormulaC11H8BrClN2O2
Molecular Weight315.55 g/mol
Exact Mass313.95
IUPAC NameN-(2-amino-4-bromophenyl)-2-chlorofuran-3-carboxamide
SMILESNc1cc(Br)ccc1NC(=O)c1ccoc1Cl
InChIInChI=1S/C11H8BrClN2O2/c12-6-1-2-9(8(14)5-6)15-11(16)7-3-4-17-10(7)13/h1-5H,14H2,(H,15,16)
InChIKeyIHZSZKOXEGRBTJ-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'}

Analyze N-(2-amino-4-bromophenyl)-2-chlorofuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(4-chloro-2-fluorophenyl)furan-3-carboxamide
CID 106685654
N-(2-amino-5-fluorophenyl)-2-chlorofuran-3-carboxamide
CID 106683261
5-chloro-2-[(2-chlorofuran-3-carbonyl)amino]benzoic acid
CID 106683314
2-chloro-N-(2,4-difluorophenyl)furan-3-carboxamide
CID 106685284
N-(2-amino-4-bromophenyl)-5-bromopyridine-2-carboxamide
CID 62958937
2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzamide
CID 81263873
N-(2-bromo-5-methylphenyl)-2-chlorofuran-3-carboxamide
CID 106685098
N-[4-amino-2-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106683164
N-(4-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43378801
5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347151
N-(3-bromo-4-pyridinyl)-2-chlorofuran-3-carboxamide
CID 106685097
N-(4-amino-2-chlorophenyl)-2-bromofuran-3-carboxamide
CID 106850739

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromophenyl)-2-chlorofuran-3-carboxamide?
The IUPAC name of N-(2-amino-4-bromophenyl)-2-chlorofuran-3-carboxamide (CID 106683097) is N-(2-amino-4-bromophenyl)-2-chlorofuran-3-carboxamide.
What is the SMILES notation for N-(2-amino-4-bromophenyl)-2-chlorofuran-3-carboxamide?
The canonical SMILES for N-(2-amino-4-bromophenyl)-2-chlorofuran-3-carboxamide is Nc1cc(Br)ccc1NC(=O)c1ccoc1Cl.
What is the InChIKey of N-(2-amino-4-bromophenyl)-2-chlorofuran-3-carboxamide?
The InChIKey is IHZSZKOXEGRBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O2/c12-6-1-2-9(8(14)5-6)15-11(16)7-3-4-17-10(7)13/h1-5H,14H2,(H,15,16).
What are the key properties of N-(2-amino-4-bromophenyl)-2-chlorofuran-3-carboxamide?
N-(2-amino-4-bromophenyl)-2-chlorofuran-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-(2-amino-4-bromophenyl)-2-chlorofuran-3-carboxamide is sourced from PubChem (CID 106683097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).