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

C20H17N3O4 — CID 126007751

IUPACN-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccco2)cc1
InChIInChI=1S/C20H17N3O4/c1-13-8-10-14(11-9-13)18(24)21-16-6-3-2-5-15(16)19(25)22-23-20(26)17-7-4-12-27-17/h2-12H,1H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyHGRIQYZVPDSZMI-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.92
Rot. Bonds4

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

N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-4-methylbenzamide (PubChem CID 126007751) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-4-methylbenzamide
PubChem CID126007751
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC NameN-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccco2)cc1
InChIInChI=1S/C20H17N3O4/c1-13-8-10-14(11-9-13)18(24)21-16-6-3-2-5-15(16)19(25)22-23-20(26)17-7-4-12-27-17/h2-12H,1H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyHGRIQYZVPDSZMI-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

N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 126008403
N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 126003002
N-[4-[(2-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 872367
2-[(4-methylbenzoyl)amino]-N-phenylbenzamide
CID 913419
N'-(2-methoxybenzoyl)furan-2-carbohydrazide
CID 789942
N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51148221
N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-3-methylbenzamide
CID 3347367
N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]acetamide
CID 6736260
N-[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-4-methylbenzamide
CID 4048530
N-[4-methoxy-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 655668
N-[2-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 6460363
2-[[2-(furan-2-carbonylamino)benzoyl]amino]propanoate
CID 3487490

Frequently Asked Questions

What is the IUPAC name of N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-4-methylbenzamide (CID 126007751) is N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-4-methylbenzamide?
The InChIKey is HGRIQYZVPDSZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-13-8-10-14(11-9-13)18(24)21-16-6-3-2-5-15(16)19(25)22-23-20(26)17-7-4-12-27-17/h2-12H,1H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-4-methylbenzamide?
N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-4-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-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 126007751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).