1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-(3-chlorophenyl)urea

C16H15Cl2N3O3 — CID 4922809

IUPAC1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-(3-chlorophenyl)urea
SMILESCc1cc(OCC(=O)NNC(=O)Nc2cccc(Cl)c2)ccc1Cl
InChIInChI=1S/C16H15Cl2N3O3/c1-10-7-13(5-6-14(10)18)24-9-15(22)20-21-16(23)19-12-4-2-3-11(17)8-12/h2-8H,9H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyYCZZPOBBBKZOHC-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.53
Rot. Bonds4

About 1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-(3-chlorophenyl)urea

1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-(3-chlorophenyl)urea (PubChem CID 4922809) has the molecular formula C16H15Cl2N3O3 and a molecular weight of 368.22 g/mol. Its IUPAC name is 1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-(3-chlorophenyl)urea
PubChem CID4922809
Molecular FormulaC16H15Cl2N3O3
Molecular Weight368.22 g/mol
Exact Mass367.05
IUPAC Name1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-(3-chlorophenyl)urea
SMILESCc1cc(OCC(=O)NNC(=O)Nc2cccc(Cl)c2)ccc1Cl
InChIInChI=1S/C16H15Cl2N3O3/c1-10-7-13(5-6-14(10)18)24-9-15(22)20-21-16(23)19-12-4-2-3-11(17)8-12/h2-8H,9H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyYCZZPOBBBKZOHC-UHFFFAOYSA-N
XLogP3.53
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.53
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-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-(4-chloro-3-methylphenoxy)-N-(3-iodophenyl)acetamide
CID 1343394
1-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-phenylurea
CID 732370
2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide
CID 17094710
3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 17194482
N-[3-[acetyl(methyl)amino]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 46761769
3-[3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 43912106
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965968
4-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 3550722
1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methylphenyl)urea
CID 18871077
2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325
ethyl N-[(3-chlorophenyl)carbamoylamino]carbamate
CID 5227471

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-(3-chlorophenyl)urea?
The IUPAC name of 1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-(3-chlorophenyl)urea (CID 4922809) is 1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-(3-chlorophenyl)urea is Cc1cc(OCC(=O)NNC(=O)Nc2cccc(Cl)c2)ccc1Cl.
What is the InChIKey of 1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-(3-chlorophenyl)urea?
The InChIKey is YCZZPOBBBKZOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O3/c1-10-7-13(5-6-14(10)18)24-9-15(22)20-21-16(23)19-12-4-2-3-11(17)8-12/h2-8H,9H2,1H3,(H,20,22)(H2,19,21,23).
What are the key properties of 1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-(3-chlorophenyl)urea?
1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-(3-chlorophenyl)urea has a molecular weight of 368.22 g/mol, XLogP of 3.53, 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-methylphenoxy)acetyl]amino]-3-(3-chlorophenyl)urea is sourced from PubChem (CID 4922809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).