N-(2-chloroethyl)-N-(2-chloropropyl)acetamide

C7H13Cl2NO — CID 82076228

IUPACN-(2-chloroethyl)-N-(2-chloropropyl)acetamide
SMILESCC(=O)N(CCCl)CC(C)Cl
InChIInChI=1S/C7H13Cl2NO/c1-6(9)5-10(4-3-8)7(2)11/h6H,3-5H2,1-2H3
InChIKeyQSCSXBXJLNBPJN-UHFFFAOYSA-N
MW198.09 g/mol
LogP1.70
Rot. Bonds4

About N-(2-chloroethyl)-N-(2-chloropropyl)acetamide

N-(2-chloroethyl)-N-(2-chloropropyl)acetamide (PubChem CID 82076228) has the molecular formula C7H13Cl2NO and a molecular weight of 198.09 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2-chloropropyl)acetamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2-chloropropyl)acetamide
PubChem CID82076228
Molecular FormulaC7H13Cl2NO
Molecular Weight198.09 g/mol
Exact Mass197.04
IUPAC NameN-(2-chloroethyl)-N-(2-chloropropyl)acetamide
SMILESCC(=O)N(CCCl)CC(C)Cl
InChIInChI=1S/C7H13Cl2NO/c1-6(9)5-10(4-3-8)7(2)11/h6H,3-5H2,1-2H3
InChIKeyQSCSXBXJLNBPJN-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.09
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Chloro-N,N-diethylacetamide
CID 16844
N,N-Dibutyl-2-chloroacetamide
CID 222374
Acetamide, N,N-bis(2-chloroethyl)-
CID 98802
2-chloro-N,N-dipropylacetamide
CID 219647
Propanamide, 2-chloro-N,N-diethyl-
CID 41046
2-chloro-N-ethyl-N-methylacetamide
CID 22234698
2,2-Dichloro-N,N-diethylacetamide
CID 70202
Acetamide, N,N-dibutyl-2,2-dichloro-
CID 94820
N-(2-Chloroethyl)-N-methylacetamide
CID 63391485
Acetamide, 2,2-dichloro-N,N-dipropyl-
CID 96076
Acetamide, 2,2-dichloro-N,N-bis(1-methylethyl)-
CID 79228
3-chloro-N,N-diethylpropanamide
CID 5210698

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2-chloropropyl)acetamide?
The IUPAC name of N-(2-chloroethyl)-N-(2-chloropropyl)acetamide (CID 82076228) is N-(2-chloroethyl)-N-(2-chloropropyl)acetamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2-chloropropyl)acetamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2-chloropropyl)acetamide is CC(=O)N(CCCl)CC(C)Cl.
What is the InChIKey of N-(2-chloroethyl)-N-(2-chloropropyl)acetamide?
The InChIKey is QSCSXBXJLNBPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl2NO/c1-6(9)5-10(4-3-8)7(2)11/h6H,3-5H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-(2-chloropropyl)acetamide?
N-(2-chloroethyl)-N-(2-chloropropyl)acetamide has a molecular weight of 198.09 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2-chloropropyl)acetamide is sourced from PubChem (CID 82076228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).