N-carbamoyl-2,2-bis(2-chlorophenoxy)acetamide

C15H12Cl2N2O4 — CID 70586663

IUPACN-carbamoyl-2,2-bis(2-chlorophenoxy)acetamide
SMILESNC(=O)NC(=O)C(Oc1ccccc1Cl)Oc1ccccc1Cl
InChIInChI=1S/C15H12Cl2N2O4/c16-9-5-1-3-7-11(9)22-14(13(20)19-15(18)21)23-12-8-4-2-6-10(12)17/h1-8,14H,(H3,18,19,20,21)
InChIKeyGDSZBDRTJMBYCX-UHFFFAOYSA-N
MW355.18 g/mol
LogP2.97
Rot. Bonds5

About N-carbamoyl-2,2-bis(2-chlorophenoxy)acetamide

N-carbamoyl-2,2-bis(2-chlorophenoxy)acetamide (PubChem CID 70586663) has the molecular formula C15H12Cl2N2O4 and a molecular weight of 355.18 g/mol. Its IUPAC name is N-carbamoyl-2,2-bis(2-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2,2-bis(2-chlorophenoxy)acetamide
PubChem CID70586663
Molecular FormulaC15H12Cl2N2O4
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC NameN-carbamoyl-2,2-bis(2-chlorophenoxy)acetamide
SMILESNC(=O)NC(=O)C(Oc1ccccc1Cl)Oc1ccccc1Cl
InChIInChI=1S/C15H12Cl2N2O4/c16-9-5-1-3-7-11(9)22-14(13(20)19-15(18)21)23-12-8-4-2-6-10(12)17/h1-8,14H,(H3,18,19,20,21)
InChIKeyGDSZBDRTJMBYCX-UHFFFAOYSA-N
XLogP2.97
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenoxy)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 43058809
(2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid
CID 54990962
(2R)-2-(2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 7815932
ethyl 2-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 47393625
2-(2-chlorophenoxy)propanedioate
CID 19095840
(2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 42563640
(2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide
CID 38013268
methyl 2-amino-3-(2-chlorophenoxy)butanoate
CID 86263211
methyl 2-(2-chlorophenoxy)-2-phenylacetate
CID 102391876
3-(2-chlorophenoxy)pentanoic acid
CID 114990652
methyl (2R,3S)-2-amino-3-(2-chlorophenoxy)butanoate
CID 99737716
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-chlorobenzoate
CID 7866412

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2,2-bis(2-chlorophenoxy)acetamide?
The IUPAC name of N-carbamoyl-2,2-bis(2-chlorophenoxy)acetamide (CID 70586663) is N-carbamoyl-2,2-bis(2-chlorophenoxy)acetamide.
What is the SMILES notation for N-carbamoyl-2,2-bis(2-chlorophenoxy)acetamide?
The canonical SMILES for N-carbamoyl-2,2-bis(2-chlorophenoxy)acetamide is NC(=O)NC(=O)C(Oc1ccccc1Cl)Oc1ccccc1Cl.
What is the InChIKey of N-carbamoyl-2,2-bis(2-chlorophenoxy)acetamide?
The InChIKey is GDSZBDRTJMBYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O4/c16-9-5-1-3-7-11(9)22-14(13(20)19-15(18)21)23-12-8-4-2-6-10(12)17/h1-8,14H,(H3,18,19,20,21).
What are the key properties of N-carbamoyl-2,2-bis(2-chlorophenoxy)acetamide?
N-carbamoyl-2,2-bis(2-chlorophenoxy)acetamide has a molecular weight of 355.18 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2,2-bis(2-chlorophenoxy)acetamide is sourced from PubChem (CID 70586663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).