2-(4-amino-3-chlorophenoxy)-N-carbamoylacetamide

C9H10ClN3O3 — CID 62113951

IUPAC2-(4-amino-3-chlorophenoxy)-N-carbamoylacetamide
SMILESNC(=O)NC(=O)COc1ccc(N)c(Cl)c1
InChIInChI=1S/C9H10ClN3O3/c10-6-3-5(1-2-7(6)11)16-4-8(14)13-9(12)15/h1-3H,4,11H2,(H3,12,13,14,15)
InChIKeyCFMKYFQVMSKOEW-UHFFFAOYSA-N
MW243.65 g/mol
LogP0.50
Rot. Bonds3

About 2-(4-amino-3-chlorophenoxy)-N-carbamoylacetamide

2-(4-amino-3-chlorophenoxy)-N-carbamoylacetamide (PubChem CID 62113951) has the molecular formula C9H10ClN3O3 and a molecular weight of 243.65 g/mol. Its IUPAC name is 2-(4-amino-3-chlorophenoxy)-N-carbamoylacetamide.

Molecular Properties

Compound Name2-(4-amino-3-chlorophenoxy)-N-carbamoylacetamide
PubChem CID62113951
Molecular FormulaC9H10ClN3O3
Molecular Weight243.65 g/mol
Exact Mass243.04
IUPAC Name2-(4-amino-3-chlorophenoxy)-N-carbamoylacetamide
SMILESNC(=O)NC(=O)COc1ccc(N)c(Cl)c1
InChIInChI=1S/C9H10ClN3O3/c10-6-3-5(1-2-7(6)11)16-4-8(14)13-9(12)15/h1-3H,4,11H2,(H3,12,13,14,15)
InChIKeyCFMKYFQVMSKOEW-UHFFFAOYSA-N
XLogP0.50
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 50.50
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-amino-4-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid
CID 113497358
N-carbamoyl-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 28561616
N-carbamoyl-2-(4-phenylphenoxy)acetamide
CID 7868557
3-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid
CID 16784050
N-(2-amino-5-chlorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 63878984
N-carbamoyl-2-(4-phenylmethoxyphenoxy)acetamide
CID 7950498
2-(4-carbamothioyl-2-chlorophenoxy)-N-carbamoylacetamide
CID 61388966
N-carbamoyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78934402
2-[[2-(3,4-dichlorophenoxy)acetyl]amino]ethyl carbamate
CID 175188468
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]propanediamide
CID 47155227
4-[2-(carbamoylamino)-2-oxoethoxy]-3-chlorobenzenesulfonyl chloride
CID 82916908
methyl 2-(3-amino-4-chlorophenoxy)acetate
CID 66717604

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-chlorophenoxy)-N-carbamoylacetamide?
The IUPAC name of 2-(4-amino-3-chlorophenoxy)-N-carbamoylacetamide (CID 62113951) is 2-(4-amino-3-chlorophenoxy)-N-carbamoylacetamide.
What is the SMILES notation for 2-(4-amino-3-chlorophenoxy)-N-carbamoylacetamide?
The canonical SMILES for 2-(4-amino-3-chlorophenoxy)-N-carbamoylacetamide is NC(=O)NC(=O)COc1ccc(N)c(Cl)c1.
What is the InChIKey of 2-(4-amino-3-chlorophenoxy)-N-carbamoylacetamide?
The InChIKey is CFMKYFQVMSKOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O3/c10-6-3-5(1-2-7(6)11)16-4-8(14)13-9(12)15/h1-3H,4,11H2,(H3,12,13,14,15).
What are the key properties of 2-(4-amino-3-chlorophenoxy)-N-carbamoylacetamide?
2-(4-amino-3-chlorophenoxy)-N-carbamoylacetamide has a molecular weight of 243.65 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-chlorophenoxy)-N-carbamoylacetamide is sourced from PubChem (CID 62113951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).