1-(3,4-dichlorophenyl)-3-[[5-(furan-2-yl)-3-pyridinyl]methyl]urea

C17H13Cl2N3O2 — CID 121197225

IUPAC1-(3,4-dichlorophenyl)-3-[[5-(furan-2-yl)-3-pyridinyl]methyl]urea
SMILESO=C(NCc1cncc(-c2ccco2)c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H13Cl2N3O2/c18-14-4-3-13(7-15(14)19)22-17(23)21-9-11-6-12(10-20-8-11)16-2-1-5-24-16/h1-8,10H,9H2,(H2,21,22,23)
InChIKeyYNUKSYGLNLLPRC-UHFFFAOYSA-N
MW362.22 g/mol
LogP4.97
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-[[5-(furan-2-yl)-3-pyridinyl]methyl]urea

1-(3,4-dichlorophenyl)-3-[[5-(furan-2-yl)-3-pyridinyl]methyl]urea (PubChem CID 121197225) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[[5-(furan-2-yl)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[[5-(furan-2-yl)-3-pyridinyl]methyl]urea
PubChem CID121197225
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC Name1-(3,4-dichlorophenyl)-3-[[5-(furan-2-yl)-3-pyridinyl]methyl]urea
SMILESO=C(NCc1cncc(-c2ccco2)c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H13Cl2N3O2/c18-14-4-3-13(7-15(14)19)22-17(23)21-9-11-6-12(10-20-8-11)16-2-1-5-24-16/h1-8,10H,9H2,(H2,21,22,23)
InChIKeyYNUKSYGLNLLPRC-UHFFFAOYSA-N
XLogP4.97
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dichlorophenyl)-3-[[5-(furan-2-yl)-3-pyridinyl]methyl]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

5-bromo-2-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
CID 121197085
1-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-methoxyphenyl)urea
CID 121197252
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-pyrrol-1-ylacetamide
CID 121197083
1-(3,4-dichlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312064
2-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
CID 121197121
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 121196995
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide
CID 121197015
2-(1-adamantyl)-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]acetamide
CID 121197067
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-phenylmethoxyacetamide
CID 121197178
1-[2,2-bis(furan-2-yl)ethyl]-3-(3,4-dichlorophenyl)urea
CID 131701819
2-[(3,4-dichlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)acetamide
CID 18101847
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]quinoline-2-carboxamide
CID 121197126

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[[5-(furan-2-yl)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[[5-(furan-2-yl)-3-pyridinyl]methyl]urea (CID 121197225) is 1-(3,4-dichlorophenyl)-3-[[5-(furan-2-yl)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[[5-(furan-2-yl)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[[5-(furan-2-yl)-3-pyridinyl]methyl]urea is O=C(NCc1cncc(-c2ccco2)c1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[[5-(furan-2-yl)-3-pyridinyl]methyl]urea?
The InChIKey is YNUKSYGLNLLPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c18-14-4-3-13(7-15(14)19)22-17(23)21-9-11-6-12(10-20-8-11)16-2-1-5-24-16/h1-8,10H,9H2,(H2,21,22,23).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[[5-(furan-2-yl)-3-pyridinyl]methyl]urea?
1-(3,4-dichlorophenyl)-3-[[5-(furan-2-yl)-3-pyridinyl]methyl]urea has a molecular weight of 362.22 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[[5-(furan-2-yl)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 121197225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).