N-(4-bromophenyl)-5-(3,5-dichlorophenyl)-2-methylfuran-3-carboxamide

C18H12BrCl2NO2 — CID 18808826

IUPACN-(4-bromophenyl)-5-(3,5-dichlorophenyl)-2-methylfuran-3-carboxamide
SMILESCc1oc(-c2cc(Cl)cc(Cl)c2)cc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H12BrCl2NO2/c1-10-16(18(23)22-15-4-2-12(19)3-5-15)9-17(24-10)11-6-13(20)8-14(21)7-11/h2-9H,1H3,(H,22,23)
InChIKeyVECATDWWHGWXOS-UHFFFAOYSA-N
MW425.11 g/mol
LogP6.58
Rot. Bonds3

About N-(4-bromophenyl)-5-(3,5-dichlorophenyl)-2-methylfuran-3-carboxamide

N-(4-bromophenyl)-5-(3,5-dichlorophenyl)-2-methylfuran-3-carboxamide (PubChem CID 18808826) has the molecular formula C18H12BrCl2NO2 and a molecular weight of 425.11 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-(3,5-dichlorophenyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-(3,5-dichlorophenyl)-2-methylfuran-3-carboxamide
PubChem CID18808826
Molecular FormulaC18H12BrCl2NO2
Molecular Weight425.11 g/mol
Exact Mass422.94
IUPAC NameN-(4-bromophenyl)-5-(3,5-dichlorophenyl)-2-methylfuran-3-carboxamide
SMILESCc1oc(-c2cc(Cl)cc(Cl)c2)cc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H12BrCl2NO2/c1-10-16(18(23)22-15-4-2-12(19)3-5-15)9-17(24-10)11-6-13(20)8-14(21)7-11/h2-9H,1H3,(H,22,23)
InChIKeyVECATDWWHGWXOS-UHFFFAOYSA-N
XLogP6.58
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.11
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

propyl 4-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
CID 18808872
2-methyl-N,5-bis(4-methylphenyl)furan-3-carboxamide
CID 16650715
5-(4-bromophenyl)-N-(4-ethoxyphenyl)-2-methylfuran-3-carboxamide
CID 16651497
[4-[[5-(4-bromophenyl)-2-methylfuran-3-carbonyl]amino]phenyl] thiocyanate
CID 16651512
5-(3,5-dichlorophenyl)-2-methyl-N-(3-nitrophenyl)furan-3-carboxamide
CID 2215470
methyl 2-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
CID 2145557
N-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 16651378
5-(4-bromophenyl)-N-[(4-chlorophenyl)methyl]-2-methylfuran-3-carboxamide
CID 16651520
N-(4-iodophenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 1340506
5-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-2-methylfuran-3-carboxamide
CID 2958681
N-(4-acetylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 16650627
N-(4-carbamoylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 17015561

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-(3,5-dichlorophenyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-(3,5-dichlorophenyl)-2-methylfuran-3-carboxamide (CID 18808826) is N-(4-bromophenyl)-5-(3,5-dichlorophenyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-(3,5-dichlorophenyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-(3,5-dichlorophenyl)-2-methylfuran-3-carboxamide is Cc1oc(-c2cc(Cl)cc(Cl)c2)cc1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-5-(3,5-dichlorophenyl)-2-methylfuran-3-carboxamide?
The InChIKey is VECATDWWHGWXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrCl2NO2/c1-10-16(18(23)22-15-4-2-12(19)3-5-15)9-17(24-10)11-6-13(20)8-14(21)7-11/h2-9H,1H3,(H,22,23).
What are the key properties of N-(4-bromophenyl)-5-(3,5-dichlorophenyl)-2-methylfuran-3-carboxamide?
N-(4-bromophenyl)-5-(3,5-dichlorophenyl)-2-methylfuran-3-carboxamide has a molecular weight of 425.11 g/mol, XLogP of 6.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-(3,5-dichlorophenyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 18808826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).