1-[2-(3-chlorophenyl)ethyl]-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea

C21H20ClN3O4 — CID 41217679

IUPAC1-[2-(3-chlorophenyl)ethyl]-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea
SMILESO=C(NCCc1cccc(Cl)c1)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C21H20ClN3O4/c22-16-6-4-5-15(13-16)11-12-23-21(27)25-24-20(26)19-10-9-18(29-19)14-28-17-7-2-1-3-8-17/h1-10,13H,11-12,14H2,(H,24,26)(H2,23,25,27)
InChIKeyHAQYAGVQPRXPIH-UHFFFAOYSA-N
MW413.86 g/mol
LogP3.70
Rot. Bonds7

About 1-[2-(3-chlorophenyl)ethyl]-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea

1-[2-(3-chlorophenyl)ethyl]-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea (PubChem CID 41217679) has the molecular formula C21H20ClN3O4 and a molecular weight of 413.86 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea
PubChem CID41217679
Molecular FormulaC21H20ClN3O4
Molecular Weight413.86 g/mol
Exact Mass413.11
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea
SMILESO=C(NCCc1cccc(Cl)c1)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C21H20ClN3O4/c22-16-6-4-5-15(13-16)11-12-23-21(27)25-24-20(26)19-10-9-18(29-19)14-28-17-7-2-1-3-8-17/h1-10,13H,11-12,14H2,(H,24,26)(H2,23,25,27)
InChIKeyHAQYAGVQPRXPIH-UHFFFAOYSA-N
XLogP3.70
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.86
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(3-chlorophenyl)ethyl]-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]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-[2-(3-chlorophenyl)ethyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55825170
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219849
N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219836
N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide
CID 113098409
5-[(3-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide
CID 19446192
1-cyclopropyl-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea
CID 36873362
5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19446135
5-[(3-chlorophenoxy)methyl]-N-(2-chlorophenyl)furan-2-carboxamide
CID 35526540
5-(naphthalen-1-yloxymethyl)-N-(2-phenylethyl)furan-2-carboxamide
CID 35526034
N-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide
CID 3416642
3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid
CID 126200596
N'-[3-(2-chlorophenyl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31464668

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea (CID 41217679) is 1-[2-(3-chlorophenyl)ethyl]-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea is O=C(NCCc1cccc(Cl)c1)NNC(=O)c1ccc(COc2ccccc2)o1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea?
The InChIKey is HAQYAGVQPRXPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4/c22-16-6-4-5-15(13-16)11-12-23-21(27)25-24-20(26)19-10-9-18(29-19)14-28-17-7-2-1-3-8-17/h1-10,13H,11-12,14H2,(H,24,26)(H2,23,25,27).
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea?
1-[2-(3-chlorophenyl)ethyl]-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea has a molecular weight of 413.86 g/mol, XLogP of 3.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethyl]-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea is sourced from PubChem (CID 41217679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).