N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)acetamide

C8H15Cl2NO — CID 82078169

IUPACN-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)acetamide
SMILESCC(=O)N(CCCl)C(C)(C)CCl
InChIInChI=1S/C8H15Cl2NO/c1-7(12)11(5-4-9)8(2,3)6-10/h4-6H2,1-3H3
InChIKeyNNHDZZGBDZQKMP-UHFFFAOYSA-N
MW212.12 g/mol
LogP2.09
Rot. Bonds4

About N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)acetamide

N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)acetamide (PubChem CID 82078169) has the molecular formula C8H15Cl2NO and a molecular weight of 212.12 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)acetamide
PubChem CID82078169
Molecular FormulaC8H15Cl2NO
Molecular Weight212.12 g/mol
Exact Mass211.05
IUPAC NameN-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)acetamide
SMILESCC(=O)N(CCCl)C(C)(C)CCl
InChIInChI=1S/C8H15Cl2NO/c1-7(12)11(5-4-9)8(2,3)6-10/h4-6H2,1-3H3
InChIKeyNNHDZZGBDZQKMP-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 52.09
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

N-(1-chloro-2-methylpropan-2-yl)-N-(2-chloropropyl)acetamide
CID 82080941
N-(2-chloroethyl)-N-methylacetamide
CID 63391485
N-tert-butyl-N-(3-hydroxypropyl)acetamide
CID 138079475
N-acetyl-N-(2-chloroethyl)-2,2,2-trifluoroacetamide
CID 91691571
N,N-bis(2-chloroethyl)-2,2-dimethylpropanamide
CID 79019595
N-(2-chloroethyl)-N-(2-chloropropyl)acetamide
CID 82076228
N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)ethanesulfonamide
CID 98652950
acetic acid;2-chloro-N-(2-chloroethyl)-N-methylethanamine
CID 155047946
N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylpropanamide
CID 63394338
propan-2-one;1,1,1,2-tetrachloroethane
CID 19428789
(E)-4-[bis(2-chloroethyl)amino]but-3-en-2-one
CID 6440053
(2R)-2-amino-2-[bis(2-chloroethyl)amino]propanoic acid
CID 24832828

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)acetamide?
The IUPAC name of N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)acetamide (CID 82078169) is N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)acetamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)acetamide?
The canonical SMILES for N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)acetamide is CC(=O)N(CCCl)C(C)(C)CCl.
What is the InChIKey of N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)acetamide?
The InChIKey is NNHDZZGBDZQKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl2NO/c1-7(12)11(5-4-9)8(2,3)6-10/h4-6H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)acetamide?
N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)acetamide has a molecular weight of 212.12 g/mol, XLogP of 2.09, 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-(1-chloro-2-methylpropan-2-yl)acetamide is sourced from PubChem (CID 82078169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).