1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(4-methylphenyl)urea

C16H16ClN3O3 — CID 841025

IUPAC1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NNC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClN3O3/c1-11-2-6-13(7-3-11)18-16(22)20-19-15(21)10-23-14-8-4-12(17)5-9-14/h2-9H,10H2,1H3,(H,19,21)(H2,18,20,22)
InChIKeySVWBKKOYYVODHW-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.88
Rot. Bonds4

About 1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(4-methylphenyl)urea

1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(4-methylphenyl)urea (PubChem CID 841025) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(4-methylphenyl)urea
PubChem CID841025
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NNC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClN3O3/c1-11-2-6-13(7-3-11)18-16(22)20-19-15(21)10-23-14-8-4-12(17)5-9-14/h2-9H,10H2,1H3,(H,19,21)(H2,18,20,22)
InChIKeySVWBKKOYYVODHW-UHFFFAOYSA-N
XLogP2.88
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.88
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

1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methylphenyl)urea
CID 18871077
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
2-(4-chlorophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]phenyl]acetamide
CID 157084020
2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide
CID 71095079
2-(4-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamoyl]acetamide
CID 10740185
2-methoxy-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 35333453
1-(4-chlorophenyl)-3-[(4-methylphenyl)carbamothioylamino]urea
CID 832889
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 4635692
N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
CID 2468236
1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-(4-chlorophenyl)thiourea
CID 8626127
N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methylphenoxy)acetamide
CID 39866946

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(4-methylphenyl)urea (CID 841025) is 1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NNC(=O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(4-methylphenyl)urea?
The InChIKey is SVWBKKOYYVODHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-11-2-6-13(7-3-11)18-16(22)20-19-15(21)10-23-14-8-4-12(17)5-9-14/h2-9H,10H2,1H3,(H,19,21)(H2,18,20,22).
What are the key properties of 1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(4-methylphenyl)urea?
1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(4-methylphenyl)urea has a molecular weight of 333.78 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(4-methylphenyl)urea is sourced from PubChem (CID 841025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).