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

C18H13Br2ClN2O2 — CID 100816695

IUPACN-(4-amino-2-bromo-6-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide
SMILESCc1cc(N)cc(Br)c1NC(=O)c1ccc(-c2ccc(Cl)cc2Br)o1
InChIInChI=1S/C18H13Br2ClN2O2/c1-9-6-11(22)8-14(20)17(9)23-18(24)16-5-4-15(25-16)12-3-2-10(21)7-13(12)19/h2-8H,22H2,1H3,(H,23,24)
InChIKeyNZZWXYFVXNRRNX-UHFFFAOYSA-N
MW484.58 g/mol
LogP6.27
Rot. Bonds3

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

N-(4-amino-2-bromo-6-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide (PubChem CID 100816695) has the molecular formula C18H13Br2ClN2O2 and a molecular weight of 484.58 g/mol. Its IUPAC name is N-(4-amino-2-bromo-6-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-bromo-6-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide
PubChem CID100816695
Molecular FormulaC18H13Br2ClN2O2
Molecular Weight484.58 g/mol
Exact Mass481.90
IUPAC NameN-(4-amino-2-bromo-6-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide
SMILESCc1cc(N)cc(Br)c1NC(=O)c1ccc(-c2ccc(Cl)cc2Br)o1
InChIInChI=1S/C18H13Br2ClN2O2/c1-9-6-11(22)8-14(20)17(9)23-18(24)16-5-4-15(25-16)12-3-2-10(21)7-13(12)19/h2-8H,22H2,1H3,(H,23,24)
InChIKeyNZZWXYFVXNRRNX-UHFFFAOYSA-N
XLogP6.27
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.58
LogP ≤ 56.27
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-(4-bromo-2-fluorophenyl)furan-2-carboxamide
CID 100816699
N-(5-amino-2-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide
CID 100817426
N-(4-amino-2-chloro-6-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 100816673
5-(2-bromo-4-chlorophenyl)-N-hydroxyfuran-2-carboxamide
CID 91678246
N-(4-amino-2-chloro-6-methylphenyl)-5-(4-bromo-2-methylphenyl)furan-2-carboxamide
CID 100816682
5-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)furan-2-carboxamide
CID 23991423
(E)-N-(4-amino-2-bromo-6-methylphenyl)-3-[5-(2,4-dibromophenyl)furan-2-yl]prop-2-enamide
CID 100828433
N-(2-amino-4-bromophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide
CID 91687510
N-(3-amino-4-methylphenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide
CID 100817322
N-(3-aminophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide
CID 100817326
5-(4-amino-2-bromophenyl)furan-2-carboxylic acid
CID 95911190
N-(5-bromo-6-methyl-2-pyridinyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 2237787

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromo-6-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide?
The IUPAC name of N-(4-amino-2-bromo-6-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide (CID 100816695) is N-(4-amino-2-bromo-6-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-amino-2-bromo-6-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(4-amino-2-bromo-6-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide is Cc1cc(N)cc(Br)c1NC(=O)c1ccc(-c2ccc(Cl)cc2Br)o1.
What is the InChIKey of N-(4-amino-2-bromo-6-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide?
The InChIKey is NZZWXYFVXNRRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Br2ClN2O2/c1-9-6-11(22)8-14(20)17(9)23-18(24)16-5-4-15(25-16)12-3-2-10(21)7-13(12)19/h2-8H,22H2,1H3,(H,23,24).
What are the key properties of N-(4-amino-2-bromo-6-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide?
N-(4-amino-2-bromo-6-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide has a molecular weight of 484.58 g/mol, XLogP of 6.27, 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-bromo-6-methylphenyl)-5-(2-bromo-4-chlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 100816695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).