N-[4-methyl-3-[(3-nitrobenzoyl)amino]phenyl]furan-2-carboxamide

C19H15N3O5 — CID 17313945

IUPACN-[4-methyl-3-[(3-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H15N3O5/c1-12-7-8-14(20-19(24)17-6-3-9-27-17)11-16(12)21-18(23)13-4-2-5-15(10-13)22(25)26/h2-11H,1H3,(H,20,24)(H,21,23)
InChIKeyKUOLBKVQBRXGIA-UHFFFAOYSA-N
MW365.35 g/mol
LogP4.00
Rot. Bonds5

About N-[4-methyl-3-[(3-nitrobenzoyl)amino]phenyl]furan-2-carboxamide

N-[4-methyl-3-[(3-nitrobenzoyl)amino]phenyl]furan-2-carboxamide (PubChem CID 17313945) has the molecular formula C19H15N3O5 and a molecular weight of 365.35 g/mol. Its IUPAC name is N-[4-methyl-3-[(3-nitrobenzoyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[(3-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
PubChem CID17313945
Molecular FormulaC19H15N3O5
Molecular Weight365.35 g/mol
Exact Mass365.10
IUPAC NameN-[4-methyl-3-[(3-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H15N3O5/c1-12-7-8-14(20-19(24)17-6-3-9-27-17)11-16(12)21-18(23)13-4-2-5-15(10-13)22(25)26/h2-11H,1H3,(H,20,24)(H,21,23)
InChIKeyKUOLBKVQBRXGIA-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

N-[5-[(3-carbamoylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 78779252
N-[3-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904507
N'-(3-nitrobenzoyl)furan-2-carbohydrazide
CID 3127339
3-benzamido-N-(2-methyl-5-nitrophenyl)benzamide
CID 1309584
N-(4-benzamido-3-methylphenyl)-3-nitrobenzamide
CID 3697987
N-[3-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 1333464
N-[2-methyl-4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1141339
N-[4-methyl-3-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide
CID 4607530
N-(3,4-dimethylphenyl)-2-[(3-nitrobenzoyl)amino]benzamide
CID 4944387
N-[4-[(2-chloro-5-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 17359174
N-[2-[(4-methyl-3-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 39887582
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(3-nitrobenzoyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-methyl-3-[(3-nitrobenzoyl)amino]phenyl]furan-2-carboxamide (CID 17313945) is N-[4-methyl-3-[(3-nitrobenzoyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-methyl-3-[(3-nitrobenzoyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-methyl-3-[(3-nitrobenzoyl)amino]phenyl]furan-2-carboxamide is Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[4-methyl-3-[(3-nitrobenzoyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is KUOLBKVQBRXGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5/c1-12-7-8-14(20-19(24)17-6-3-9-27-17)11-16(12)21-18(23)13-4-2-5-15(10-13)22(25)26/h2-11H,1H3,(H,20,24)(H,21,23).
What are the key properties of N-[4-methyl-3-[(3-nitrobenzoyl)amino]phenyl]furan-2-carboxamide?
N-[4-methyl-3-[(3-nitrobenzoyl)amino]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-[4-methyl-3-[(3-nitrobenzoyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 17313945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).