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

C10H9Cl2IN2O2 — CID 107636900

IUPAC3-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide
SMILESO=C(CCCl)NC(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C10H9Cl2IN2O2/c11-4-3-9(16)15-10(17)14-8-2-1-6(12)5-7(8)13/h1-2,5H,3-4H2,(H2,14,15,16,17)
InChIKeyIKGCGFQVDZCSER-UHFFFAOYSA-N
MW387.00 g/mol
LogP3.22
Rot. Bonds3

About 3-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide

3-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide (PubChem CID 107636900) has the molecular formula C10H9Cl2IN2O2 and a molecular weight of 387.00 g/mol. Its IUPAC name is 3-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide
PubChem CID107636900
Molecular FormulaC10H9Cl2IN2O2
Molecular Weight387.00 g/mol
Exact Mass385.91
IUPAC Name3-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide
SMILESO=C(CCCl)NC(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C10H9Cl2IN2O2/c11-4-3-9(16)15-10(17)14-8-2-1-6(12)5-7(8)13/h1-2,5H,3-4H2,(H2,14,15,16,17)
InChIKeyIKGCGFQVDZCSER-UHFFFAOYSA-N
XLogP3.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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)carbamoyl]propanamide
CID 107636895
1-amino-3-(4-chloro-2-iodophenyl)urea
CID 107629399
2-bromo-N-(4-chloro-2-iodophenyl)acetamide
CID 107624932
5-(4-chloro-2-iodoanilino)-5-oxopentanoic acid
CID 104573932
N-(4-chloro-2-iodophenyl)-4-methylpentanamide
CID 103766832
N-(4-chloro-2-iodophenyl)-3-methylsulfanylpropanamide
CID 103766867
N-(4-chloro-2-iodophenyl)-3-methoxypropanamide
CID 103766747
3-chloro-N-(4-chloro-2-hydroxyphenyl)propanamide
CID 95909610
4-[(4-chloro-2-methylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 28746604
N-(2-bromo-4-chlorophenyl)-3-chloropropanamide
CID 81264246
2-chloro-N-(4-chloro-2-iodophenyl)propanamide
CID 103881715
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]acetamide
CID 43145991

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide?
The IUPAC name of 3-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide (CID 107636900) is 3-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide.
What is the SMILES notation for 3-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide?
The canonical SMILES for 3-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide is O=C(CCCl)NC(=O)Nc1ccc(Cl)cc1I.
What is the InChIKey of 3-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide?
The InChIKey is IKGCGFQVDZCSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2IN2O2/c11-4-3-9(16)15-10(17)14-8-2-1-6(12)5-7(8)13/h1-2,5H,3-4H2,(H2,14,15,16,17).
What are the key properties of 3-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide?
3-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide has a molecular weight of 387.00 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide is sourced from PubChem (CID 107636900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).