2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide

C10H10BrClN2O3 — CID 3901807

IUPAC2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)NC(N)=O
InChIInChI=1S/C10H10BrClN2O3/c1-5(9(15)14-10(13)16)17-8-3-2-6(12)4-7(8)11/h2-5H,1H3,(H3,13,14,15,16)
InChIKeySIYOYZQJXQUSTA-UHFFFAOYSA-N
MW321.56 g/mol
LogP2.06
Rot. Bonds3

About 2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide

2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide (PubChem CID 3901807) has the molecular formula C10H10BrClN2O3 and a molecular weight of 321.56 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide
PubChem CID3901807
Molecular FormulaC10H10BrClN2O3
Molecular Weight321.56 g/mol
Exact Mass319.96
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)NC(N)=O
InChIInChI=1S/C10H10BrClN2O3/c1-5(9(15)14-10(13)16)17-8-3-2-6(12)4-7(8)11/h2-5H,1H3,(H3,13,14,15,16)
InChIKeySIYOYZQJXQUSTA-UHFFFAOYSA-N
XLogP2.06
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.56
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide
CID 8709006
methyl 2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propanoate
CID 60727143
2-(2-acetyl-4-chlorophenoxy)-N-carbamoylpropanamide
CID 60623246
(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
CID 40773106
methyl 2-(2-bromo-4-chlorophenoxy)propanoate
CID 20526233
3-bromo-4-[1-(carbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 61317730
(2S)-2-(4-bromo-2-chlorophenoxy)-N-carbamoylpropanamide
CID 2638136
2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propanoic acid
CID 43170814
2-(2-bromo-4-chlorophenoxy)propanoyl chloride
CID 88743448
3-(2-bromo-4-chlorophenoxy)butan-2-one
CID 60626588
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide
CID 43080396
(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8728140

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide (CID 3901807) is 2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide is CC(Oc1ccc(Cl)cc1Br)C(=O)NC(N)=O.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide?
The InChIKey is SIYOYZQJXQUSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2O3/c1-5(9(15)14-10(13)16)17-8-3-2-6(12)4-7(8)11/h2-5H,1H3,(H3,13,14,15,16).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide?
2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide has a molecular weight of 321.56 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide is sourced from PubChem (CID 3901807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).