1-[furan-2-yl(phenyl)methyl]-3-(3-nitrophenyl)urea

C18H15N3O4 — CID 51244043

IUPAC1-[furan-2-yl(phenyl)methyl]-3-(3-nitrophenyl)urea
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C18H15N3O4/c22-18(19-14-8-4-9-15(12-14)21(23)24)20-17(16-10-5-11-25-16)13-6-2-1-3-7-13/h1-12,17H,(H2,19,20,22)
InChIKeyYOXYQCCRCOJZRN-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.10
Rot. Bonds5

About 1-[furan-2-yl(phenyl)methyl]-3-(3-nitrophenyl)urea

1-[furan-2-yl(phenyl)methyl]-3-(3-nitrophenyl)urea (PubChem CID 51244043) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is 1-[furan-2-yl(phenyl)methyl]-3-(3-nitrophenyl)urea.

Molecular Properties

Compound Name1-[furan-2-yl(phenyl)methyl]-3-(3-nitrophenyl)urea
PubChem CID51244043
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name1-[furan-2-yl(phenyl)methyl]-3-(3-nitrophenyl)urea
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C18H15N3O4/c22-18(19-14-8-4-9-15(12-14)21(23)24)20-17(16-10-5-11-25-16)13-6-2-1-3-7-13/h1-12,17H,(H2,19,20,22)
InChIKeyYOXYQCCRCOJZRN-UHFFFAOYSA-N
XLogP4.10
TPSA97.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[furan-2-yl(phenyl)methyl]-3-(3-nitrophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(R)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide
CID 8928120
N-[(S)-furan-2-yl(phenyl)methyl]-3-nitrobenzamide
CID 8928119
(3S)-3-(3-nitrophenyl)-3-(phenylcarbamoylamino)propanoic acid
CID 946506
1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-nitrophenyl)urea
CID 27869054
1-[3-(3-nitrophenyl)phenyl]-3-phenylurea
CID 110446797
4-hydroxy-2-[(3-nitrophenyl)carbamoylamino]butanoic acid
CID 61244044
2,6-difluoro-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134028235
2-cyano-N-(3-nitrophenyl)-2-phenylacetamide
CID 62877185
4-methyl-2-[(3-nitrophenyl)carbamoylamino]pentanoic acid
CID 43096922
1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea
CID 28540569
[furan-2-yl(phenyl)methyl]urea
CID 14906081
1-[(2R)-1-methoxypropan-2-yl]-3-(3-nitrophenyl)urea
CID 27870478

Frequently Asked Questions

What is the IUPAC name of 1-[furan-2-yl(phenyl)methyl]-3-(3-nitrophenyl)urea?
The IUPAC name of 1-[furan-2-yl(phenyl)methyl]-3-(3-nitrophenyl)urea (CID 51244043) is 1-[furan-2-yl(phenyl)methyl]-3-(3-nitrophenyl)urea.
What is the SMILES notation for 1-[furan-2-yl(phenyl)methyl]-3-(3-nitrophenyl)urea?
The canonical SMILES for 1-[furan-2-yl(phenyl)methyl]-3-(3-nitrophenyl)urea is O=C(Nc1cccc([N+](=O)[O-])c1)NC(c1ccccc1)c1ccco1.
What is the InChIKey of 1-[furan-2-yl(phenyl)methyl]-3-(3-nitrophenyl)urea?
The InChIKey is YOXYQCCRCOJZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c22-18(19-14-8-4-9-15(12-14)21(23)24)20-17(16-10-5-11-25-16)13-6-2-1-3-7-13/h1-12,17H,(H2,19,20,22).
What are the key properties of 1-[furan-2-yl(phenyl)methyl]-3-(3-nitrophenyl)urea?
1-[furan-2-yl(phenyl)methyl]-3-(3-nitrophenyl)urea has a molecular weight of 337.34 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[furan-2-yl(phenyl)methyl]-3-(3-nitrophenyl)urea is sourced from PubChem (CID 51244043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).