2-(5-chloro-2-phenoxyanilino)-N-(methylcarbamoyl)acetamide

C16H16ClN3O3 — CID 26526675

IUPAC2-(5-chloro-2-phenoxyanilino)-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CNc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C16H16ClN3O3/c1-18-16(22)20-15(21)10-19-13-9-11(17)7-8-14(13)23-12-5-3-2-4-6-12/h2-9,19H,10H2,1H3,(H2,18,20,21,22)
InChIKeyRQIIAMCTPJPIJY-UHFFFAOYSA-N
MW333.78 g/mol
LogP3.00
Rot. Bonds5

About 2-(5-chloro-2-phenoxyanilino)-N-(methylcarbamoyl)acetamide

2-(5-chloro-2-phenoxyanilino)-N-(methylcarbamoyl)acetamide (PubChem CID 26526675) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is 2-(5-chloro-2-phenoxyanilino)-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-phenoxyanilino)-N-(methylcarbamoyl)acetamide
PubChem CID26526675
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name2-(5-chloro-2-phenoxyanilino)-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CNc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C16H16ClN3O3/c1-18-16(22)20-15(21)10-19-13-9-11(17)7-8-14(13)23-12-5-3-2-4-6-12/h2-9,19H,10H2,1H3,(H2,18,20,21,22)
InChIKeyRQIIAMCTPJPIJY-UHFFFAOYSA-N
XLogP3.00
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-chloro-2-(3-methylphenoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 17461797
N-(1-acetylpiperidin-4-yl)-2-(5-chloro-2-phenoxyanilino)acetamide
CID 78823282
2-[5-chloro-2-(3-methylphenoxy)anilino]-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide
CID 40986768
5-chloro-2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 47409666
1-(5-chloro-2-phenoxyphenyl)-3-propylurea
CID 100748519
[2-(tert-butylamino)-2-oxoethyl]-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]-methylazanium
CID 8767029
4-[[2-[5-chloro-2-(4-methylphenoxy)anilino]acetyl]amino]benzamide
CID 17402450
N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide
CID 2212566
2-(5-chloro-2-phenoxyanilino)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone
CID 55893105
N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049483
N-(cyclopentylcarbamoyl)-2-(2-phenoxyanilino)acetamide
CID 17404437

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-phenoxyanilino)-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-(5-chloro-2-phenoxyanilino)-N-(methylcarbamoyl)acetamide (CID 26526675) is 2-(5-chloro-2-phenoxyanilino)-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-phenoxyanilino)-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-(5-chloro-2-phenoxyanilino)-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CNc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of 2-(5-chloro-2-phenoxyanilino)-N-(methylcarbamoyl)acetamide?
The InChIKey is RQIIAMCTPJPIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-18-16(22)20-15(21)10-19-13-9-11(17)7-8-14(13)23-12-5-3-2-4-6-12/h2-9,19H,10H2,1H3,(H2,18,20,21,22).
What are the key properties of 2-(5-chloro-2-phenoxyanilino)-N-(methylcarbamoyl)acetamide?
2-(5-chloro-2-phenoxyanilino)-N-(methylcarbamoyl)acetamide has a molecular weight of 333.78 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-phenoxyanilino)-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 26526675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).