N-(4-amino-2-chloro-6-methylphenyl)-5-(4-bromo-2-methylphenyl)furan-2-carboxamide

C19H16BrClN2O2 — CID 100816682

IUPACN-(4-amino-2-chloro-6-methylphenyl)-5-(4-bromo-2-methylphenyl)furan-2-carboxamide
SMILESCc1cc(Br)ccc1-c1ccc(C(=O)Nc2c(C)cc(N)cc2Cl)o1
InChIInChI=1S/C19H16BrClN2O2/c1-10-7-12(20)3-4-14(10)16-5-6-17(25-16)19(24)23-18-11(2)8-13(22)9-15(18)21/h3-9H,22H2,1-2H3,(H,23,24)
InChIKeyYTMGBRLNEHCNTG-UHFFFAOYSA-N
MW419.71 g/mol
LogP5.81
Rot. Bonds3

About N-(4-amino-2-chloro-6-methylphenyl)-5-(4-bromo-2-methylphenyl)furan-2-carboxamide

N-(4-amino-2-chloro-6-methylphenyl)-5-(4-bromo-2-methylphenyl)furan-2-carboxamide (PubChem CID 100816682) has the molecular formula C19H16BrClN2O2 and a molecular weight of 419.71 g/mol. Its IUPAC name is N-(4-amino-2-chloro-6-methylphenyl)-5-(4-bromo-2-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-chloro-6-methylphenyl)-5-(4-bromo-2-methylphenyl)furan-2-carboxamide
PubChem CID100816682
Molecular FormulaC19H16BrClN2O2
Molecular Weight419.71 g/mol
Exact Mass418.01
IUPAC NameN-(4-amino-2-chloro-6-methylphenyl)-5-(4-bromo-2-methylphenyl)furan-2-carboxamide
SMILESCc1cc(Br)ccc1-c1ccc(C(=O)Nc2c(C)cc(N)cc2Cl)o1
InChIInChI=1S/C19H16BrClN2O2/c1-10-7-12(20)3-4-14(10)16-5-6-17(25-16)19(24)23-18-11(2)8-13(22)9-15(18)21/h3-9H,22H2,1-2H3,(H,23,24)
InChIKeyYTMGBRLNEHCNTG-UHFFFAOYSA-N
XLogP5.81
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.71
LogP ≤ 55.81
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-chloro-6-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 100816673
N-(4-amino-2-bromo-6-methylphenyl)-5-(4-bromo-2-fluorophenyl)furan-2-carboxamide
CID 100816699
N-(4-amino-2-bromo-6-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide
CID 100816695
5-(4-bromo-2-chlorophenyl)furan-2-carbohydrazide
CID 94675227
N-(2-amino-4-bromophenyl)-5-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 91687495
N-(4-amino-2-chloro-6-methylphenyl)-2-(4-bromophenoxy)-2-methylpropanamide
CID 100828380
5-(4-amino-2-methylphenyl)-N-(2-methoxyethyl)furan-2-carboxamide
CID 91687732
N-(5-amino-2-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide
CID 100817426
N-(4-amino-2-chloro-6-methoxyphenyl)-5-(3-chloro-4-methylphenyl)furan-2-carboxamide
CID 100828700
N-(2-amino-4-bromophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide
CID 91687510
5-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)furan-2-carboxamide
CID 23991423
N-(4-amino-2-chlorophenyl)-5-(2-bromophenyl)furan-2-carboxamide
CID 100829833

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chloro-6-methylphenyl)-5-(4-bromo-2-methylphenyl)furan-2-carboxamide?
The IUPAC name of N-(4-amino-2-chloro-6-methylphenyl)-5-(4-bromo-2-methylphenyl)furan-2-carboxamide (CID 100816682) is N-(4-amino-2-chloro-6-methylphenyl)-5-(4-bromo-2-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-amino-2-chloro-6-methylphenyl)-5-(4-bromo-2-methylphenyl)furan-2-carboxamide?
The canonical SMILES for N-(4-amino-2-chloro-6-methylphenyl)-5-(4-bromo-2-methylphenyl)furan-2-carboxamide is Cc1cc(Br)ccc1-c1ccc(C(=O)Nc2c(C)cc(N)cc2Cl)o1.
What is the InChIKey of N-(4-amino-2-chloro-6-methylphenyl)-5-(4-bromo-2-methylphenyl)furan-2-carboxamide?
The InChIKey is YTMGBRLNEHCNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrClN2O2/c1-10-7-12(20)3-4-14(10)16-5-6-17(25-16)19(24)23-18-11(2)8-13(22)9-15(18)21/h3-9H,22H2,1-2H3,(H,23,24).
What are the key properties of N-(4-amino-2-chloro-6-methylphenyl)-5-(4-bromo-2-methylphenyl)furan-2-carboxamide?
N-(4-amino-2-chloro-6-methylphenyl)-5-(4-bromo-2-methylphenyl)furan-2-carboxamide has a molecular weight of 419.71 g/mol, XLogP of 5.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chloro-6-methylphenyl)-5-(4-bromo-2-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 100816682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).