2-chloro-N,N-di(propan-2-yl)propanamide

C9H18ClNO — CID 13345096

IUPAC2-chloro-N,N-di(propan-2-yl)propanamide
SMILESCC(Cl)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C9H18ClNO/c1-6(2)11(7(3)4)9(12)8(5)10/h6-8H,1-5H3
InChIKeyVMGBVCZLORGNTJ-UHFFFAOYSA-N
MW191.70 g/mol
LogP2.26
Rot. Bonds3

About 2-chloro-N,N-di(propan-2-yl)propanamide

2-chloro-N,N-di(propan-2-yl)propanamide (PubChem CID 13345096) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 2-chloro-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name2-chloro-N,N-di(propan-2-yl)propanamide
PubChem CID13345096
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name2-chloro-N,N-di(propan-2-yl)propanamide
SMILESCC(Cl)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C9H18ClNO/c1-6(2)11(7(3)4)9(12)8(5)10/h6-8H,1-5H3
InChIKeyVMGBVCZLORGNTJ-UHFFFAOYSA-N
XLogP2.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 52.26
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 2-chloro-N,N-di(propan-2-yl)propanamide?
The IUPAC name of 2-chloro-N,N-di(propan-2-yl)propanamide (CID 13345096) is 2-chloro-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for 2-chloro-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for 2-chloro-N,N-di(propan-2-yl)propanamide is CC(Cl)C(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-chloro-N,N-di(propan-2-yl)propanamide?
The InChIKey is VMGBVCZLORGNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-6(2)11(7(3)4)9(12)8(5)10/h6-8H,1-5H3.
What are the key properties of 2-chloro-N,N-di(propan-2-yl)propanamide?
2-chloro-N,N-di(propan-2-yl)propanamide has a molecular weight of 191.70 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 13345096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).