1-[4-(furan-2-ylmethylamino)phenyl]-3-phenylurea

C18H17N3O2 — CID 112981834

IUPAC1-[4-(furan-2-ylmethylamino)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(NCc2ccco2)cc1
InChIInChI=1S/C18H17N3O2/c22-18(20-15-5-2-1-3-6-15)21-16-10-8-14(9-11-16)19-13-17-7-4-12-23-17/h1-12,19H,13H2,(H2,20,21,22)
InChIKeyXWNFNXLRTQXIEY-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.54
Rot. Bonds5

About 1-[4-(furan-2-ylmethylamino)phenyl]-3-phenylurea

1-[4-(furan-2-ylmethylamino)phenyl]-3-phenylurea (PubChem CID 112981834) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-[4-(furan-2-ylmethylamino)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(furan-2-ylmethylamino)phenyl]-3-phenylurea
PubChem CID112981834
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name1-[4-(furan-2-ylmethylamino)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(NCc2ccco2)cc1
InChIInChI=1S/C18H17N3O2/c22-18(20-15-5-2-1-3-6-15)21-16-10-8-14(9-11-16)19-13-17-7-4-12-23-17/h1-12,19H,13H2,(H2,20,21,22)
InChIKeyXWNFNXLRTQXIEY-UHFFFAOYSA-N
XLogP4.54
TPSA66.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(furan-2-ylmethylamino)phenyl]benzamide
CID 112981782
1-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3-phenylurea
CID 113040691
N-[4-(furan-2-ylmethylamino)phenyl]-2-methylbenzamide
CID 112981783
2-(2-bromophenyl)-N-[4-(furan-2-ylmethylamino)phenyl]acetamide
CID 112981838
4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 54842827
N'-(furan-2-ylmethyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108961384
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2,2-diphenylacetamide
CID 35335039
N-[4-(furan-2-ylmethylamino)phenyl]-2-thiophen-2-ylacetamide
CID 112981805
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
2-[4-(furan-2-ylmethylamino)phenyl]-N-methylacetamide
CID 43713977
2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303311
2-(furan-2-ylmethylamino)-N-phenylpropanamide
CID 43083282

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-ylmethylamino)phenyl]-3-phenylurea?
The IUPAC name of 1-[4-(furan-2-ylmethylamino)phenyl]-3-phenylurea (CID 112981834) is 1-[4-(furan-2-ylmethylamino)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(furan-2-ylmethylamino)phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-(furan-2-ylmethylamino)phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(NCc2ccco2)cc1.
What is the InChIKey of 1-[4-(furan-2-ylmethylamino)phenyl]-3-phenylurea?
The InChIKey is XWNFNXLRTQXIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-18(20-15-5-2-1-3-6-15)21-16-10-8-14(9-11-16)19-13-17-7-4-12-23-17/h1-12,19H,13H2,(H2,20,21,22).
What are the key properties of 1-[4-(furan-2-ylmethylamino)phenyl]-3-phenylurea?
1-[4-(furan-2-ylmethylamino)phenyl]-3-phenylurea has a molecular weight of 307.35 g/mol, XLogP of 4.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-ylmethylamino)phenyl]-3-phenylurea is sourced from PubChem (CID 112981834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).