2-chloro-N-ethyl-N-(2-methylpropyl)acetamide

C8H16ClNO — CID 43247567

IUPAC2-chloro-N-ethyl-N-(2-methylpropyl)acetamide
SMILESCCN(CC(C)C)C(=O)CCl
InChIInChI=1S/C8H16ClNO/c1-4-10(6-7(2)3)8(11)5-9/h7H,4-6H2,1-3H3
InChIKeyNFYZIEFIGBHLBZ-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.73
Rot. Bonds4

About 2-chloro-N-ethyl-N-(2-methylpropyl)acetamide

2-chloro-N-ethyl-N-(2-methylpropyl)acetamide (PubChem CID 43247567) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(2-methylpropyl)acetamide
PubChem CID43247567
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name2-chloro-N-ethyl-N-(2-methylpropyl)acetamide
SMILESCCN(CC(C)C)C(=O)CCl
InChIInChI=1S/C8H16ClNO/c1-4-10(6-7(2)3)8(11)5-9/h7H,4-6H2,1-3H3
InChIKeyNFYZIEFIGBHLBZ-UHFFFAOYSA-N
XLogP1.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.73
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

2-chloro-N,N-bis(propan-2-yl)acetamide
CID 139013
N,N-Dibutyl-2-chloroacetamide
CID 222374
2-chloro-N,N-dipropylacetamide
CID 219647
Propanamide, 2-chloro-N,N-diethyl-
CID 41046
Acetamide, N,N-dibutyl-2,2-dichloro-
CID 94820
Acetamide, 2,2-dichloro-N,N-dipropyl-
CID 96076
2-Chloro-n,n-dipentylacetamide
CID 222384
2-chloro-N,N-bis(3-methylbutyl)acetamide
CID 2386089
2-chloro-N,N-bis(propan-2-yl)propanamide
CID 13345096
N-butyl-2-chloro-N-methylacetamide
CID 18936900
2-Chloro-n,n-diisobutylacetamide
CID 220784
Chloroacetamide, N,N-dihexyl-
CID 533169

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-chloro-N-ethyl-N-(2-methylpropyl)acetamide (CID 43247567) is 2-chloro-N-ethyl-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-chloro-N-ethyl-N-(2-methylpropyl)acetamide is CCN(CC(C)C)C(=O)CCl.
What is the InChIKey of 2-chloro-N-ethyl-N-(2-methylpropyl)acetamide?
The InChIKey is NFYZIEFIGBHLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-4-10(6-7(2)3)8(11)5-9/h7H,4-6H2,1-3H3.
What are the key properties of 2-chloro-N-ethyl-N-(2-methylpropyl)acetamide?
2-chloro-N-ethyl-N-(2-methylpropyl)acetamide has a molecular weight of 177.67 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 43247567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).