N-butan-2-yl-2-chloro-N-methylacetamide

C7H14ClNO — CID 43247568

IUPACN-butan-2-yl-2-chloro-N-methylacetamide
SMILESCCC(C)N(C)C(=O)CCl
InChIInChI=1S/C7H14ClNO/c1-4-6(2)9(3)7(10)5-8/h6H,4-5H2,1-3H3
InChIKeyYUPFROAUBUQOIE-UHFFFAOYSA-N
MW163.65 g/mol
LogP1.48
Rot. Bonds3

About N-butan-2-yl-2-chloro-N-methylacetamide

N-butan-2-yl-2-chloro-N-methylacetamide (PubChem CID 43247568) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is N-butan-2-yl-2-chloro-N-methylacetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-chloro-N-methylacetamide
PubChem CID43247568
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC NameN-butan-2-yl-2-chloro-N-methylacetamide
SMILESCCC(C)N(C)C(=O)CCl
InChIInChI=1S/C7H14ClNO/c1-4-6(2)9(3)7(10)5-8/h6H,4-5H2,1-3H3
InChIKeyYUPFROAUBUQOIE-UHFFFAOYSA-N
XLogP1.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 51.48
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
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
2-chloro-N-ethyl-N-methylacetamide
CID 22234698
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
1-(Azetidin-1-yl)-2-chloroethan-1-one
CID 2543159
N-(butan-2-yl)-2-chloroacetamide
CID 3138632
2-chloro-N-methyl-N-(propan-2-yl)acetamide
CID 8899730

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-chloro-N-methylacetamide?
The IUPAC name of N-butan-2-yl-2-chloro-N-methylacetamide (CID 43247568) is N-butan-2-yl-2-chloro-N-methylacetamide.
What is the SMILES notation for N-butan-2-yl-2-chloro-N-methylacetamide?
The canonical SMILES for N-butan-2-yl-2-chloro-N-methylacetamide is CCC(C)N(C)C(=O)CCl.
What is the InChIKey of N-butan-2-yl-2-chloro-N-methylacetamide?
The InChIKey is YUPFROAUBUQOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-4-6(2)9(3)7(10)5-8/h6H,4-5H2,1-3H3.
What are the key properties of N-butan-2-yl-2-chloro-N-methylacetamide?
N-butan-2-yl-2-chloro-N-methylacetamide has a molecular weight of 163.65 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-chloro-N-methylacetamide is sourced from PubChem (CID 43247568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).