N-(3,4-dichlorophenyl)-2,4,5-trimethylfuran-3-carboxamide

C14H13Cl2NO2 — CID 26719667

IUPACN-(3,4-dichlorophenyl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2ccc(Cl)c(Cl)c2)c1C
InChIInChI=1S/C14H13Cl2NO2/c1-7-8(2)19-9(3)13(7)14(18)17-10-4-5-11(15)12(16)6-10/h4-6H,1-3H3,(H,17,18)
InChIKeyCXVSNSRECJCBSG-UHFFFAOYSA-N
MW298.17 g/mol
LogP4.76
Rot. Bonds2

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

N-(3,4-dichlorophenyl)-2,4,5-trimethylfuran-3-carboxamide (PubChem CID 26719667) has the molecular formula C14H13Cl2NO2 and a molecular weight of 298.17 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2,4,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2,4,5-trimethylfuran-3-carboxamide
PubChem CID26719667
Molecular FormulaC14H13Cl2NO2
Molecular Weight298.17 g/mol
Exact Mass297.03
IUPAC NameN-(3,4-dichlorophenyl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2ccc(Cl)c(Cl)c2)c1C
InChIInChI=1S/C14H13Cl2NO2/c1-7-8(2)19-9(3)13(7)14(18)17-10-4-5-11(15)12(16)6-10/h4-6H,1-3H3,(H,17,18)
InChIKeyCXVSNSRECJCBSG-UHFFFAOYSA-N
XLogP4.76
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 26719141
N-(3-amino-4-ethylphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 62058076
methyl 4-[(2,4,5-trimethylfuran-3-carbonyl)amino]benzoate
CID 26720131
2,4,5-trimethyl-N-(4-propylphenyl)furan-3-carboxamide
CID 18098041
2,4,5-trimethyl-N-[3-[1-(methylamino)ethyl]phenyl]furan-3-carboxamide
CID 65151530
5-acetamido-N-(3,4-dichlorophenyl)furan-2-carboxamide
CID 110699992
N-(2,3-dihydro-1H-indol-5-yl)-2,4,5-trimethylfuran-3-carboxamide
CID 65153310
2,4,5-trimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-3-carboxamide
CID 36723061
2,4,5-trimethyl-N-(3-pyrrol-1-ylphenyl)furan-3-carboxamide
CID 47093125
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4,5-trimethylfuran-3-carboxamide
CID 26721810
2,4,5-trimethyl-N-(3-pyrimidin-2-yloxyphenyl)furan-3-carboxamide
CID 51090175
2,4,5-trimethyl-N-quinolin-3-ylfuran-3-carboxamide
CID 32840046

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2,4,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2,4,5-trimethylfuran-3-carboxamide (CID 26719667) is N-(3,4-dichlorophenyl)-2,4,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2,4,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2,4,5-trimethylfuran-3-carboxamide is Cc1oc(C)c(C(=O)Nc2ccc(Cl)c(Cl)c2)c1C.
What is the InChIKey of N-(3,4-dichlorophenyl)-2,4,5-trimethylfuran-3-carboxamide?
The InChIKey is CXVSNSRECJCBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2/c1-7-8(2)19-9(3)13(7)14(18)17-10-4-5-11(15)12(16)6-10/h4-6H,1-3H3,(H,17,18).
What are the key properties of N-(3,4-dichlorophenyl)-2,4,5-trimethylfuran-3-carboxamide?
N-(3,4-dichlorophenyl)-2,4,5-trimethylfuran-3-carboxamide has a molecular weight of 298.17 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2,4,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 26719667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).