N-(2-chloropropyl)carbamoyl chloride

C4H7Cl2NO — CID 150988487

IUPACN-(2-chloropropyl)carbamoyl chloride
SMILESCC(Cl)CNC(=O)Cl
InChIInChI=1S/C4H7Cl2NO/c1-3(5)2-7-4(6)8/h3H,2H2,1H3,(H,7,8)
InChIKeyLRPCZTIFMPXDBQ-UHFFFAOYSA-N
MW156.01 g/mol
LogP1.56
Rot. Bonds2

About N-(2-chloropropyl)carbamoyl chloride

N-(2-chloropropyl)carbamoyl chloride (PubChem CID 150988487) has the molecular formula C4H7Cl2NO and a molecular weight of 156.01 g/mol. Its IUPAC name is N-(2-chloropropyl)carbamoyl chloride.

Molecular Properties

Compound NameN-(2-chloropropyl)carbamoyl chloride
PubChem CID150988487
Molecular FormulaC4H7Cl2NO
Molecular Weight156.01 g/mol
Exact Mass154.99
IUPAC NameN-(2-chloropropyl)carbamoyl chloride
SMILESCC(Cl)CNC(=O)Cl
InChIInChI=1S/C4H7Cl2NO/c1-3(5)2-7-4(6)8/h3H,2H2,1H3,(H,7,8)
InChIKeyLRPCZTIFMPXDBQ-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.01
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)carbamoyl chloride?
The IUPAC name of N-(2-chloropropyl)carbamoyl chloride (CID 150988487) is N-(2-chloropropyl)carbamoyl chloride.
What is the SMILES notation for N-(2-chloropropyl)carbamoyl chloride?
The canonical SMILES for N-(2-chloropropyl)carbamoyl chloride is CC(Cl)CNC(=O)Cl.
What is the InChIKey of N-(2-chloropropyl)carbamoyl chloride?
The InChIKey is LRPCZTIFMPXDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl2NO/c1-3(5)2-7-4(6)8/h3H,2H2,1H3,(H,7,8).
What are the key properties of N-(2-chloropropyl)carbamoyl chloride?
N-(2-chloropropyl)carbamoyl chloride has a molecular weight of 156.01 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)carbamoyl chloride is sourced from PubChem (CID 150988487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).