N-butan-2-yl-4-chloro-N-ethylbutanamide

C10H20ClNO — CID 63308989

IUPACN-butan-2-yl-4-chloro-N-ethylbutanamide
SMILESCCC(C)N(CC)C(=O)CCCCl
InChIInChI=1S/C10H20ClNO/c1-4-9(3)12(5-2)10(13)7-6-8-11/h9H,4-8H2,1-3H3
InChIKeyRAAAZHKGSAAEDI-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.65
Rot. Bonds6

About N-butan-2-yl-4-chloro-N-ethylbutanamide

N-butan-2-yl-4-chloro-N-ethylbutanamide (PubChem CID 63308989) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is N-butan-2-yl-4-chloro-N-ethylbutanamide.

Molecular Properties

Compound NameN-butan-2-yl-4-chloro-N-ethylbutanamide
PubChem CID63308989
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC NameN-butan-2-yl-4-chloro-N-ethylbutanamide
SMILESCCC(C)N(CC)C(=O)CCCCl
InChIInChI=1S/C10H20ClNO/c1-4-9(3)12(5-2)10(13)7-6-8-11/h9H,4-8H2,1-3H3
InChIKeyRAAAZHKGSAAEDI-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-chloro-N-ethylbutanamide?
The IUPAC name of N-butan-2-yl-4-chloro-N-ethylbutanamide (CID 63308989) is N-butan-2-yl-4-chloro-N-ethylbutanamide.
What is the SMILES notation for N-butan-2-yl-4-chloro-N-ethylbutanamide?
The canonical SMILES for N-butan-2-yl-4-chloro-N-ethylbutanamide is CCC(C)N(CC)C(=O)CCCCl.
What is the InChIKey of N-butan-2-yl-4-chloro-N-ethylbutanamide?
The InChIKey is RAAAZHKGSAAEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-4-9(3)12(5-2)10(13)7-6-8-11/h9H,4-8H2,1-3H3.
What are the key properties of N-butan-2-yl-4-chloro-N-ethylbutanamide?
N-butan-2-yl-4-chloro-N-ethylbutanamide has a molecular weight of 205.73 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-chloro-N-ethylbutanamide is sourced from PubChem (CID 63308989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).