1-(furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea

C13H13N3O5 — CID 2954756

IUPAC1-(furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccco1
InChIInChI=1S/C13H13N3O5/c1-20-12-7-9(16(18)19)4-5-11(12)15-13(17)14-8-10-3-2-6-21-10/h2-7H,8H2,1H3,(H2,14,15,17)
InChIKeySFOIEIDFSBGYTH-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.52
Rot. Bonds5

About 1-(furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea

1-(furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea (PubChem CID 2954756) has the molecular formula C13H13N3O5 and a molecular weight of 291.26 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea
PubChem CID2954756
Molecular FormulaC13H13N3O5
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC Name1-(furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccco1
InChIInChI=1S/C13H13N3O5/c1-20-12-7-9(16(18)19)4-5-11(12)15-13(17)14-8-10-3-2-6-21-10/h2-7H,8H2,1H3,(H2,14,15,17)
InChIKeySFOIEIDFSBGYTH-UHFFFAOYSA-N
XLogP2.52
TPSA106.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 52.52
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

1-Furfuryl-3-(4-nitrophenyl)urea
CID 239710
1-Furfuryl-3-(3-nitrophenyl)urea
CID 239941
1-(Furan-2-ylmethyl)-3-[4-(sulfamoylamino)phenyl]urea
CID 71273628
2'-Methoxy-4'-nitro-2-furanilide
CID 2886159
N-(3,4-dimethoxyphenyl)-N'-(2-furylmethyl)urea
CID 970043
2-N-(furan-2-ylmethyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3221395
N-(2-furylmethyl)-N'-(4-methoxy-2-nitrophenyl)succinamide
CID 6456698
1-(Furan-2-ylmethyl)-3-(2-methoxyphenyl)urea
CID 239709
1-(Furan-2-ylmethyl)-3-(3-methoxyphenyl)thiourea
CID 2252938
1-(2-Furylmethyl)-3-(2-methoxyphenyl)thiourea
CID 694028
1-(Furan-2-ylmethyl)-3-(2-methoxy-5-nitrophenyl)-1-methylurea
CID 315805
N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]furan-2-carboxamide
CID 856866

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea (CID 2954756) is 1-(furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea is COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea?
The InChIKey is SFOIEIDFSBGYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5/c1-20-12-7-9(16(18)19)4-5-11(12)15-13(17)14-8-10-3-2-6-21-10/h2-7H,8H2,1H3,(H2,14,15,17).
What are the key properties of 1-(furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea?
1-(furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea has a molecular weight of 291.26 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea is sourced from PubChem (CID 2954756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).