N-[2-methyl-5-[[2-nitro-4-(trifluoromethyl)anilino]carbamoyl]phenyl]furan-2-carboxamide

C20H15F3N4O5 — CID 29409356

IUPACN-[2-methyl-5-[[2-nitro-4-(trifluoromethyl)anilino]carbamoyl]phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1NC(=O)c1ccco1
InChIInChI=1S/C20H15F3N4O5/c1-11-4-5-12(9-15(11)24-19(29)17-3-2-8-32-17)18(28)26-25-14-7-6-13(20(21,22)23)10-16(14)27(30)31/h2-10,25H,1H3,(H,24,29)(H,26,28)
InChIKeyICGAEBPNJVMQTO-UHFFFAOYSA-N
MW448.36 g/mol
LogP4.52
Rot. Bonds6

About N-[2-methyl-5-[[2-nitro-4-(trifluoromethyl)anilino]carbamoyl]phenyl]furan-2-carboxamide

N-[2-methyl-5-[[2-nitro-4-(trifluoromethyl)anilino]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 29409356) has the molecular formula C20H15F3N4O5 and a molecular weight of 448.36 g/mol. Its IUPAC name is N-[2-methyl-5-[[2-nitro-4-(trifluoromethyl)anilino]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[[2-nitro-4-(trifluoromethyl)anilino]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID29409356
Molecular FormulaC20H15F3N4O5
Molecular Weight448.36 g/mol
Exact Mass448.10
IUPAC NameN-[2-methyl-5-[[2-nitro-4-(trifluoromethyl)anilino]carbamoyl]phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1NC(=O)c1ccco1
InChIInChI=1S/C20H15F3N4O5/c1-11-4-5-12(9-15(11)24-19(29)17-3-2-8-32-17)18(28)26-25-14-7-6-13(20(21,22)23)10-16(14)27(30)31/h2-10,25H,1H3,(H,24,29)(H,26,28)
InChIKeyICGAEBPNJVMQTO-UHFFFAOYSA-N
XLogP4.52
TPSA126.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.36
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

(2-nitrophenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 9318976
N'-[2-nitro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzohydrazide
CID 29409169
N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
CID 29409858
3,4-dimethoxy-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409295
5-fluoro-2-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29410018
2-(furan-2-yl)-5-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide
CID 30830165
N-[5-(1,1-diphenylethylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
CID 56522910
N-[2-[3-[2-nitro-4-(trifluoromethyl)anilino]propanoylamino]ethyl]furan-2-carboxamide
CID 55549465
N-(2-methylphenyl)-4-[2-nitro-4-(trifluoromethyl)anilino]benzamide
CID 143133205
2-nitro-N'-[2-nitro-4-(trifluoromethyl)phenyl]benzohydrazide
CID 29409066
N-[2-cyano-4-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 115911287
2,5-dimethyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]furan-3-carbohydrazide
CID 29409438

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[2-nitro-4-(trifluoromethyl)anilino]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-methyl-5-[[2-nitro-4-(trifluoromethyl)anilino]carbamoyl]phenyl]furan-2-carboxamide (CID 29409356) is N-[2-methyl-5-[[2-nitro-4-(trifluoromethyl)anilino]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[[2-nitro-4-(trifluoromethyl)anilino]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-methyl-5-[[2-nitro-4-(trifluoromethyl)anilino]carbamoyl]phenyl]furan-2-carboxamide is Cc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1NC(=O)c1ccco1.
What is the InChIKey of N-[2-methyl-5-[[2-nitro-4-(trifluoromethyl)anilino]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is ICGAEBPNJVMQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O5/c1-11-4-5-12(9-15(11)24-19(29)17-3-2-8-32-17)18(28)26-25-14-7-6-13(20(21,22)23)10-16(14)27(30)31/h2-10,25H,1H3,(H,24,29)(H,26,28).
What are the key properties of N-[2-methyl-5-[[2-nitro-4-(trifluoromethyl)anilino]carbamoyl]phenyl]furan-2-carboxamide?
N-[2-methyl-5-[[2-nitro-4-(trifluoromethyl)anilino]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 448.36 g/mol, XLogP of 4.52, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[[2-nitro-4-(trifluoromethyl)anilino]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 29409356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).