2-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide

C10H9Cl2IN2O2 — CID 107636895

IUPAC2-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C10H9Cl2IN2O2/c1-5(11)9(16)15-10(17)14-8-3-2-6(12)4-7(8)13/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyHTTHUJCKGMBJMP-UHFFFAOYSA-N
MW387.00 g/mol
LogP3.22
Rot. Bonds2

About 2-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide

2-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide (PubChem CID 107636895) has the molecular formula C10H9Cl2IN2O2 and a molecular weight of 387.00 g/mol. Its IUPAC name is 2-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide
PubChem CID107636895
Molecular FormulaC10H9Cl2IN2O2
Molecular Weight387.00 g/mol
Exact Mass385.91
IUPAC Name2-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C10H9Cl2IN2O2/c1-5(11)9(16)15-10(17)14-8-3-2-6(12)4-7(8)13/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyHTTHUJCKGMBJMP-UHFFFAOYSA-N
XLogP3.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.00
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-chloro-2-iodophenyl)propanamide
CID 103881715
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide
CID 43145990
N-(4-chloro-2-iodophenyl)-2-sulfanylpropanamide
CID 107638389
2-bromo-N-(4-chloro-2-iodophenyl)propanamide
CID 107906024
3-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide
CID 107636900
1-amino-3-(4-chloro-2-iodophenyl)urea
CID 107629399
2-chloro-N-[(2-chloro-4-methylphenyl)carbamoyl]propanamide
CID 43146433
3-[(4-chloro-2-iodophenyl)carbamoylamino]-4-methylpentanoic acid
CID 107628313
N-(4-chloro-2-iodophenyl)-4-methylpentanamide
CID 103766832
methyl N-(4-chloro-2-iodophenyl)carbamate
CID 103767047
2-bromo-N-(4-chloro-2-iodophenyl)butanamide
CID 107624936
2-[(4-chloro-2-iodophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 107628619

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide (CID 107636895) is 2-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide is CC(Cl)C(=O)NC(=O)Nc1ccc(Cl)cc1I.
What is the InChIKey of 2-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide?
The InChIKey is HTTHUJCKGMBJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2IN2O2/c1-5(11)9(16)15-10(17)14-8-3-2-6(12)4-7(8)13/h2-5H,1H3,(H2,14,15,16,17).
What are the key properties of 2-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide?
2-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide has a molecular weight of 387.00 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide is sourced from PubChem (CID 107636895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).