1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea

C18H20ClN3O4 — CID 4055904

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea
SMILESCCc1ccc(OCC(=O)NNC(=O)Nc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C18H20ClN3O4/c1-3-12-4-7-14(8-5-12)26-11-17(23)21-22-18(24)20-15-10-13(19)6-9-16(15)25-2/h4-10H,3,11H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyMHQPMPIWHJFTIR-UHFFFAOYSA-N
MW377.83 g/mol
LogP3.14
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea

1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea (PubChem CID 4055904) has the molecular formula C18H20ClN3O4 and a molecular weight of 377.83 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea
PubChem CID4055904
Molecular FormulaC18H20ClN3O4
Molecular Weight377.83 g/mol
Exact Mass377.11
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea
SMILESCCc1ccc(OCC(=O)NNC(=O)Nc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C18H20ClN3O4/c1-3-12-4-7-14(8-5-12)26-11-17(23)21-22-18(24)20-15-10-13(19)6-9-16(15)25-2/h4-10H,3,11H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyMHQPMPIWHJFTIR-UHFFFAOYSA-N
XLogP3.14
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-(4-ethylphenoxy)butanamide
CID 19184672
N-(5-chloro-2-methoxyphenyl)-2-(4-octoxyphenoxy)acetamide
CID 4733029
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 4783296
N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide
CID 7503472
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 1193872
1-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)urea
CID 2206472
1-(2,4-dichlorophenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]thiourea
CID 3309711
2-(3-butoxyphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 4733171
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide
CID 7928705
N-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 2710232
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate
CID 42969587
2-(4-bromophenoxy)-N-(5-chloro-2-ethoxyphenyl)acetamide
CID 60536138

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea (CID 4055904) is 1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea is CCc1ccc(OCC(=O)NNC(=O)Nc2cc(Cl)ccc2OC)cc1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea?
The InChIKey is MHQPMPIWHJFTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4/c1-3-12-4-7-14(8-5-12)26-11-17(23)21-22-18(24)20-15-10-13(19)6-9-16(15)25-2/h4-10H,3,11H2,1-2H3,(H,21,23)(H2,20,22,24).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea?
1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea has a molecular weight of 377.83 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea is sourced from PubChem (CID 4055904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).