N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-3-methylbenzamide

C20H17N3O4 — CID 3347367

IUPACN-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccco3)cc2)c1
InChIInChI=1S/C20H17N3O4/c1-13-4-2-5-15(12-13)18(24)21-16-9-7-14(8-10-16)19(25)22-23-20(26)17-6-3-11-27-17/h2-12H,1H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyZQVWEQBXUMBQBN-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.92
Rot. Bonds4

About N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-3-methylbenzamide

N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-3-methylbenzamide (PubChem CID 3347367) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-3-methylbenzamide
PubChem CID3347367
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC NameN-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccco3)cc2)c1
InChIInChI=1S/C20H17N3O4/c1-13-4-2-5-15(12-13)18(24)21-16-9-7-14(8-10-16)19(25)22-23-20(26)17-6-3-11-27-17/h2-12H,1H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyZQVWEQBXUMBQBN-UHFFFAOYSA-N
XLogP2.92
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]acetamide
CID 6736260
N-[2-methyl-4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1141339
methyl 4-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamoyl]benzoate
CID 17178369
3-methyl-N-[4-[(propanoylamino)carbamoyl]phenyl]benzamide
CID 909687
N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 9366850
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
N-[4-[(2-chloro-4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 29204883
N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide
CID 3349610
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
N-[4-[(3-methoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 780805
N-[4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 9273872

Frequently Asked Questions

What is the IUPAC name of N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-3-methylbenzamide (CID 3347367) is N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccco3)cc2)c1.
What is the InChIKey of N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-3-methylbenzamide?
The InChIKey is ZQVWEQBXUMBQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-13-4-2-5-15(12-13)18(24)21-16-9-7-14(8-10-16)19(25)22-23-20(26)17-6-3-11-27-17/h2-12H,1H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-3-methylbenzamide?
N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-3-methylbenzamide has a molecular weight of 363.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 3347367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).