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

C14H13N3O4 — CID 6736260

IUPACN-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccco2)cc1
InChIInChI=1S/C14H13N3O4/c1-9(18)15-11-6-4-10(5-7-11)13(19)16-17-14(20)12-3-2-8-21-12/h2-8H,1H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyTZRCBQUBQSWELX-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.31
Rot. Bonds3

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

N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]acetamide (PubChem CID 6736260) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]acetamide
PubChem CID6736260
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC NameN-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccco2)cc1
InChIInChI=1S/C14H13N3O4/c1-9(18)15-11-6-4-10(5-7-11)13(19)16-17-14(20)12-3-2-8-21-12/h2-8H,1H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyTZRCBQUBQSWELX-UHFFFAOYSA-N
XLogP1.31
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.31
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-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-3-methylbenzamide
CID 3347367
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
N'-(4-bromobenzoyl)furan-2-carbohydrazide
CID 687073
N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]cyclohexanecarboxamide
CID 1272797
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide
CID 4826998
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 2534154
N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1114254
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]acetamide?
The IUPAC name of N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]acetamide (CID 6736260) is N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]acetamide?
The InChIKey is TZRCBQUBQSWELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-9(18)15-11-6-4-10(5-7-11)13(19)16-17-14(20)12-3-2-8-21-12/h2-8H,1H3,(H,15,18)(H,16,19)(H,17,20).
What are the key properties of N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]acetamide?
N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]acetamide has a molecular weight of 287.28 g/mol, XLogP of 1.31, 3 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]acetamide is sourced from PubChem (CID 6736260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).