1-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-phenylurea

C17H18ClN3O3 — CID 732370

IUPAC1-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-phenylurea
SMILESCc1cc(OCC(=O)NNC(=O)Nc2ccccc2)cc(C)c1Cl
InChIInChI=1S/C17H18ClN3O3/c1-11-8-14(9-12(2)16(11)18)24-10-15(22)20-21-17(23)19-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,20,22)(H2,19,21,23)
InChIKeyYQONIYREOHSBNH-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.19
Rot. Bonds4

About 1-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-phenylurea

1-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-phenylurea (PubChem CID 732370) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 1-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-phenylurea.

Molecular Properties

Compound Name1-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-phenylurea
PubChem CID732370
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name1-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-phenylurea
SMILESCc1cc(OCC(=O)NNC(=O)Nc2ccccc2)cc(C)c1Cl
InChIInChI=1S/C17H18ClN3O3/c1-11-8-14(9-12(2)16(11)18)24-10-15(22)20-21-17(23)19-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,20,22)(H2,19,21,23)
InChIKeyYQONIYREOHSBNH-UHFFFAOYSA-N
XLogP3.19
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
CID 918181
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958111
1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-(3-chlorophenyl)urea
CID 4922809
1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methylphenyl)urea
CID 18871077
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-ethoxyacetohydrazide
CID 17140821
2-(4-bromo-3-methylphenoxy)-N-[(phenylcarbamoylamino)carbamothioyl]acetamide
CID 4511455
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-iodophenyl)acetamide
CID 1329877
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide
CID 4931158
4-tert-butyl-N-[4-[[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]benzamide
CID 3550715
N-[4-[[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-methylpropanamide
CID 4925197
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,6-difluorophenyl)acetamide
CID 112979011
1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(4-methylphenyl)urea
CID 841025

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-phenylurea?
The IUPAC name of 1-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-phenylurea (CID 732370) is 1-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-phenylurea.
What is the SMILES notation for 1-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-phenylurea?
The canonical SMILES for 1-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-phenylurea is Cc1cc(OCC(=O)NNC(=O)Nc2ccccc2)cc(C)c1Cl.
What is the InChIKey of 1-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-phenylurea?
The InChIKey is YQONIYREOHSBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-11-8-14(9-12(2)16(11)18)24-10-15(22)20-21-17(23)19-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,20,22)(H2,19,21,23).
What are the key properties of 1-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-phenylurea?
1-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-phenylurea has a molecular weight of 347.80 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-phenylurea is sourced from PubChem (CID 732370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).