2-(4-amino-2,6-dichlorophenoxy)-N-carbamoylacetamide

C9H9Cl2N3O3 — CID 43169631

IUPAC2-(4-amino-2,6-dichlorophenoxy)-N-carbamoylacetamide
SMILESNC(=O)NC(=O)COc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C9H9Cl2N3O3/c10-5-1-4(12)2-6(11)8(5)17-3-7(15)14-9(13)16/h1-2H,3,12H2,(H3,13,14,15,16)
InChIKeyAVRAKASXKCPXFW-UHFFFAOYSA-N
MW278.10 g/mol
LogP1.15
Rot. Bonds3

About 2-(4-amino-2,6-dichlorophenoxy)-N-carbamoylacetamide

2-(4-amino-2,6-dichlorophenoxy)-N-carbamoylacetamide (PubChem CID 43169631) has the molecular formula C9H9Cl2N3O3 and a molecular weight of 278.10 g/mol. Its IUPAC name is 2-(4-amino-2,6-dichlorophenoxy)-N-carbamoylacetamide.

Molecular Properties

Compound Name2-(4-amino-2,6-dichlorophenoxy)-N-carbamoylacetamide
PubChem CID43169631
Molecular FormulaC9H9Cl2N3O3
Molecular Weight278.10 g/mol
Exact Mass277.00
IUPAC Name2-(4-amino-2,6-dichlorophenoxy)-N-carbamoylacetamide
SMILESNC(=O)NC(=O)COc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C9H9Cl2N3O3/c10-5-1-4(12)2-6(11)8(5)17-3-7(15)14-9(13)16/h1-2H,3,12H2,(H3,13,14,15,16)
InChIKeyAVRAKASXKCPXFW-UHFFFAOYSA-N
XLogP1.15
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.10
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-2,6-dichlorophenoxy)-N-(cyclopropylmethyl)acetamide
CID 43351652
2-(4-amino-2,6-dichlorophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 61486362
4-[2-(carbamoylamino)-2-oxoethoxy]-3-chloro-5-methoxybenzoic acid
CID 28898007
2-(4-amino-3-chlorophenoxy)-N-carbamoylacetamide
CID 62113951
2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-carbamoylacetamide
CID 28966876
3-(4-amino-2,6-dichlorophenoxy)propanamide
CID 43169605
2-(2-acetyl-6-amino-4-bromophenoxy)-N-carbamoylacetamide
CID 116541385
N-carbamoyl-2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetamide
CID 107742179
2-(4-carbamothioyl-2-chlorophenoxy)-N-carbamoylacetamide
CID 61388966
4-[2-(carbamoylamino)-2-oxoethoxy]-3-chlorobenzenesulfonyl chloride
CID 82916908
2-(2,6-dichloro-4-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide
CID 28913411
N-carbamoyl-2-(4-cyano-2,6-dimethylphenoxy)acetamide
CID 65472840

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,6-dichlorophenoxy)-N-carbamoylacetamide?
The IUPAC name of 2-(4-amino-2,6-dichlorophenoxy)-N-carbamoylacetamide (CID 43169631) is 2-(4-amino-2,6-dichlorophenoxy)-N-carbamoylacetamide.
What is the SMILES notation for 2-(4-amino-2,6-dichlorophenoxy)-N-carbamoylacetamide?
The canonical SMILES for 2-(4-amino-2,6-dichlorophenoxy)-N-carbamoylacetamide is NC(=O)NC(=O)COc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 2-(4-amino-2,6-dichlorophenoxy)-N-carbamoylacetamide?
The InChIKey is AVRAKASXKCPXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3O3/c10-5-1-4(12)2-6(11)8(5)17-3-7(15)14-9(13)16/h1-2H,3,12H2,(H3,13,14,15,16).
What are the key properties of 2-(4-amino-2,6-dichlorophenoxy)-N-carbamoylacetamide?
2-(4-amino-2,6-dichlorophenoxy)-N-carbamoylacetamide has a molecular weight of 278.10 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,6-dichlorophenoxy)-N-carbamoylacetamide is sourced from PubChem (CID 43169631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).