N-(5-amino-2-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide

C18H14BrClN2O2 — CID 100817426

IUPACN-(5-amino-2-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide
SMILESCc1ccc(N)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2Br)o1
InChIInChI=1S/C18H14BrClN2O2/c1-10-2-4-12(21)9-15(10)22-18(23)17-7-6-16(24-17)13-5-3-11(20)8-14(13)19/h2-9H,21H2,1H3,(H,22,23)
InChIKeyCXUGFJZRLRTQIR-UHFFFAOYSA-N
MW405.68 g/mol
LogP5.51
Rot. Bonds3

About N-(5-amino-2-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide

N-(5-amino-2-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide (PubChem CID 100817426) has the molecular formula C18H14BrClN2O2 and a molecular weight of 405.68 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide
PubChem CID100817426
Molecular FormulaC18H14BrClN2O2
Molecular Weight405.68 g/mol
Exact Mass403.99
IUPAC NameN-(5-amino-2-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide
SMILESCc1ccc(N)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2Br)o1
InChIInChI=1S/C18H14BrClN2O2/c1-10-2-4-12(21)9-15(10)22-18(23)17-7-6-16(24-17)13-5-3-11(20)8-14(13)19/h2-9H,21H2,1H3,(H,22,23)
InChIKeyCXUGFJZRLRTQIR-UHFFFAOYSA-N
XLogP5.51
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.68
LogP ≤ 55.51
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-bromo-6-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide
CID 100816695
5-(2-bromo-4-chlorophenyl)-N-hydroxyfuran-2-carboxamide
CID 91678246
N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 4873369
N-(4-amino-2-chlorophenyl)-5-(2-bromophenyl)furan-2-carboxamide
CID 100829833
N-(2-amino-4-bromophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide
CID 91687510
N-(4-amino-2-chloro-6-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 100816673
N-(3-aminophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide
CID 100817326
N-(3-amino-4-methylphenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide
CID 100817322
5-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)furan-2-carboxamide
CID 23991423
5-(4-amino-2-bromophenyl)furan-2-carboxylic acid
CID 95911190
5-(2-bromo-4-methylphenyl)furan-2-carbohydrazide
CID 50879311
N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 1321696

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide (CID 100817426) is N-(5-amino-2-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide is Cc1ccc(N)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2Br)o1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide?
The InChIKey is CXUGFJZRLRTQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN2O2/c1-10-2-4-12(21)9-15(10)22-18(23)17-7-6-16(24-17)13-5-3-11(20)8-14(13)19/h2-9H,21H2,1H3,(H,22,23).
What are the key properties of N-(5-amino-2-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide?
N-(5-amino-2-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide has a molecular weight of 405.68 g/mol, XLogP of 5.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 100817426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).