N,3-dichloropropanamide

C3H5Cl2NO — CID 12663090

IUPACN,3-dichloropropanamide
SMILESO=C(CCCl)NCl
InChIInChI=1S/C3H5Cl2NO/c4-2-1-3(7)6-5/h1-2H2,(H,6,7)
InChIKeyZIHMWDBMPZISRL-UHFFFAOYSA-N
MW141.98 g/mol
LogP0.89
Rot. Bonds2

About N,3-dichloropropanamide

N,3-dichloropropanamide (PubChem CID 12663090) has the molecular formula C3H5Cl2NO and a molecular weight of 141.98 g/mol. Its IUPAC name is N,3-dichloropropanamide.

Molecular Properties

Compound NameN,3-dichloropropanamide
PubChem CID12663090
Molecular FormulaC3H5Cl2NO
Molecular Weight141.98 g/mol
Exact Mass140.97
IUPAC NameN,3-dichloropropanamide
SMILESO=C(CCCl)NCl
InChIInChI=1S/C3H5Cl2NO/c4-2-1-3(7)6-5/h1-2H2,(H,6,7)
InChIKeyZIHMWDBMPZISRL-UHFFFAOYSA-N
XLogP0.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.98
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-bromo-3-chloropropanamide
CID 130655792
6-(chloroamino)-6-oxohexanoic acid
CID 88749492
3-chloro-N-cyanopropanamide
CID 79204302
N-[4,6-bis(3-chloropropanoylamino)-1,3,5-triazin-2-yl]-3-chloropropanamide
CID 54343372
methyl N-(3-chloropropanoyl)carbamate
CID 131133799
3-chloro-N-[3-(3-chloropropanoylamino)-2,2-dimethylpropyl]propanamide
CID 4135025
N-chlorodocosanamide
CID 141032944
3-chloro-N-pentan-3-ylpropanamide
CID 16783824
3-chloro-N-propan-2-yloxypropanamide
CID 130815573
3-chloro-N-(2-hydroxypropyl)propanamide
CID 59011978
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 61251175
3-chloro-N-(1-methylsulfonylpropan-2-yl)propanamide
CID 64630200

Frequently Asked Questions

What is the IUPAC name of N,3-dichloropropanamide?
The IUPAC name of N,3-dichloropropanamide (CID 12663090) is N,3-dichloropropanamide.
What is the SMILES notation for N,3-dichloropropanamide?
The canonical SMILES for N,3-dichloropropanamide is O=C(CCCl)NCl.
What is the InChIKey of N,3-dichloropropanamide?
The InChIKey is ZIHMWDBMPZISRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl2NO/c4-2-1-3(7)6-5/h1-2H2,(H,6,7).
What are the key properties of N,3-dichloropropanamide?
N,3-dichloropropanamide has a molecular weight of 141.98 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dichloropropanamide is sourced from PubChem (CID 12663090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).