N-[2-[(4-methyl-3-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide

C19H15N3O5 — CID 39887582

IUPACN-[2-[(4-methyl-3-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccco2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H15N3O5/c1-12-8-9-13(11-16(12)22(25)26)20-18(23)14-5-2-3-6-15(14)21-19(24)17-7-4-10-27-17/h2-11H,1H3,(H,20,23)(H,21,24)
InChIKeyYSBXBEMFOAEVQB-UHFFFAOYSA-N
MW365.35 g/mol
LogP4.00
Rot. Bonds5

About N-[2-[(4-methyl-3-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide

N-[2-[(4-methyl-3-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 39887582) has the molecular formula C19H15N3O5 and a molecular weight of 365.35 g/mol. Its IUPAC name is N-[2-[(4-methyl-3-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methyl-3-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID39887582
Molecular FormulaC19H15N3O5
Molecular Weight365.35 g/mol
Exact Mass365.10
IUPAC NameN-[2-[(4-methyl-3-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccco2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H15N3O5/c1-12-8-9-13(11-16(12)22(25)26)20-18(23)14-5-2-3-6-15(14)21-19(24)17-7-4-10-27-17/h2-11H,1H3,(H,20,23)(H,21,24)
InChIKeyYSBXBEMFOAEVQB-UHFFFAOYSA-N
XLogP4.00
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 7440307
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 722967
N-[3-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 3164150
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 722971
N-[4-methyl-3-[(3-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 17313945
N-(5-chloro-2-methyl-4-nitrophenyl)-2-fluorobenzamide;N-(5-chloro-2-methyl-4-nitrophenyl)furan-2-carboxamide
CID 158719874
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 24536405
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)propanoate
CID 2110544
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55316617
N'-(4-methyl-3-nitrophenyl)sulfonylfuran-2-carbohydrazide
CID 8616963
N-(4-methyl-3-nitrophenyl)-5-nitrofuran-2-carboxamide
CID 17146040

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-3-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(4-methyl-3-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide (CID 39887582) is N-[2-[(4-methyl-3-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(4-methyl-3-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(4-methyl-3-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide is Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccco2)cc1[N+](=O)[O-].
What is the InChIKey of N-[2-[(4-methyl-3-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is YSBXBEMFOAEVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5/c1-12-8-9-13(11-16(12)22(25)26)20-18(23)14-5-2-3-6-15(14)21-19(24)17-7-4-10-27-17/h2-11H,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-[(4-methyl-3-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide?
N-[2-[(4-methyl-3-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 365.35 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-3-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 39887582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).