5-(3,5-dichlorophenyl)-2-methyl-N-(3-nitrophenyl)furan-3-carboxamide

C18H12Cl2N2O4 — CID 2215470

IUPAC5-(3,5-dichlorophenyl)-2-methyl-N-(3-nitrophenyl)furan-3-carboxamide
SMILESCc1oc(-c2cc(Cl)cc(Cl)c2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H12Cl2N2O4/c1-10-16(9-17(26-10)11-5-12(19)7-13(20)6-11)18(23)21-14-3-2-4-15(8-14)22(24)25/h2-9H,1H3,(H,21,23)
InChIKeyKENDAMPSNRNXER-UHFFFAOYSA-N
MW391.21 g/mol
LogP5.72
Rot. Bonds4

About 5-(3,5-dichlorophenyl)-2-methyl-N-(3-nitrophenyl)furan-3-carboxamide

5-(3,5-dichlorophenyl)-2-methyl-N-(3-nitrophenyl)furan-3-carboxamide (PubChem CID 2215470) has the molecular formula C18H12Cl2N2O4 and a molecular weight of 391.21 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-2-methyl-N-(3-nitrophenyl)furan-3-carboxamide.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-2-methyl-N-(3-nitrophenyl)furan-3-carboxamide
PubChem CID2215470
Molecular FormulaC18H12Cl2N2O4
Molecular Weight391.21 g/mol
Exact Mass390.02
IUPAC Name5-(3,5-dichlorophenyl)-2-methyl-N-(3-nitrophenyl)furan-3-carboxamide
SMILESCc1oc(-c2cc(Cl)cc(Cl)c2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H12Cl2N2O4/c1-10-16(9-17(26-10)11-5-12(19)7-13(20)6-11)18(23)21-14-3-2-4-15(8-14)22(24)25/h2-9H,1H3,(H,21,23)
InChIKeyKENDAMPSNRNXER-UHFFFAOYSA-N
XLogP5.72
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.21
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-N-(3-fluorophenyl)-2-methylfuran-3-carboxamide
CID 16651382
5-chloro-2-(methylamino)-N-(3-nitrophenyl)benzamide
CID 62166987
2,5-dimethyl-N-(3-nitrophenyl)thiophene-3-carboxamide
CID 16960210
5-(4-chlorophenyl)-N-(3-nitrophenyl)-1,2-oxazole-3-carboxamide
CID 31776990
2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide
CID 797365
2,5-dimethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide
CID 16953136
2-[(3-nitrophenyl)carbamoyl]benzoate
CID 6935895
propyl 4-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
CID 18808872
(4R)-4-(4-chlorophenyl)-6-methyl-N-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7721784
2-[5-chloro-2-(phenylcarbamoyl)phenyl]-5-methyl-N-(3-nitrophenyl)benzamide
CID 134694588
2-fluoro-N-(3-nitrophenyl)benzamide
CID 531938
2-iodo-5-nitro-N-(3-nitrophenyl)benzamide
CID 38925983

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-2-methyl-N-(3-nitrophenyl)furan-3-carboxamide?
The IUPAC name of 5-(3,5-dichlorophenyl)-2-methyl-N-(3-nitrophenyl)furan-3-carboxamide (CID 2215470) is 5-(3,5-dichlorophenyl)-2-methyl-N-(3-nitrophenyl)furan-3-carboxamide.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-2-methyl-N-(3-nitrophenyl)furan-3-carboxamide?
The canonical SMILES for 5-(3,5-dichlorophenyl)-2-methyl-N-(3-nitrophenyl)furan-3-carboxamide is Cc1oc(-c2cc(Cl)cc(Cl)c2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-2-methyl-N-(3-nitrophenyl)furan-3-carboxamide?
The InChIKey is KENDAMPSNRNXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O4/c1-10-16(9-17(26-10)11-5-12(19)7-13(20)6-11)18(23)21-14-3-2-4-15(8-14)22(24)25/h2-9H,1H3,(H,21,23).
What are the key properties of 5-(3,5-dichlorophenyl)-2-methyl-N-(3-nitrophenyl)furan-3-carboxamide?
5-(3,5-dichlorophenyl)-2-methyl-N-(3-nitrophenyl)furan-3-carboxamide has a molecular weight of 391.21 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-2-methyl-N-(3-nitrophenyl)furan-3-carboxamide is sourced from PubChem (CID 2215470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).