2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide

C10H9Cl3N2O2 — CID 43145990

IUPAC2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H9Cl3N2O2/c1-5(11)9(16)15-10(17)14-8-4-6(12)2-3-7(8)13/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyDXBYUFDGFPTHHX-UHFFFAOYSA-N
MW295.55 g/mol
LogP3.27
Rot. Bonds2

About 2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide

2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide (PubChem CID 43145990) has the molecular formula C10H9Cl3N2O2 and a molecular weight of 295.55 g/mol. Its IUPAC name is 2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide
PubChem CID43145990
Molecular FormulaC10H9Cl3N2O2
Molecular Weight295.55 g/mol
Exact Mass293.97
IUPAC Name2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H9Cl3N2O2/c1-5(11)9(16)15-10(17)14-8-4-6(12)2-3-7(8)13/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyDXBYUFDGFPTHHX-UHFFFAOYSA-N
XLogP3.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.55
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide
CID 107636895
(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide
CID 94831435
1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea
CID 64994195
2-chloro-N-[(2-chloro-4-methylphenyl)carbamoyl]propanamide
CID 43146433
2-chloro-N-(2,5-dichlorophenyl)-3-oxobutanamide
CID 142639963
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]acetamide
CID 43145991
1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023669
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide
CID 43700084
1-(2,5-dichlorophenyl)-3-(3-methyl-2-oxobutyl)urea
CID 64993936
1-(2,5-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916204
N-(2,5-dichlorophenyl)-N'-propan-2-yloxamide
CID 2988512
(2S)-2-chloro-N-[(2-fluorophenyl)carbamoyl]propanamide
CID 93258112

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide (CID 43145990) is 2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide is CC(Cl)C(=O)NC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide?
The InChIKey is DXBYUFDGFPTHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3N2O2/c1-5(11)9(16)15-10(17)14-8-4-6(12)2-3-7(8)13/h2-5H,1H3,(H2,14,15,16,17).
What are the key properties of 2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide?
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide has a molecular weight of 295.55 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide is sourced from PubChem (CID 43145990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).