2-chloro-N-[di(propan-2-yloxy)phosphorylmethyl]acetamide

C9H19ClNO4P — CID 54049884

IUPAC2-chloro-N-[di(propan-2-yloxy)phosphorylmethyl]acetamide
SMILESCC(C)OP(=O)(CNC(=O)CCl)OC(C)C
InChIInChI=1S/C9H19ClNO4P/c1-7(2)14-16(13,15-8(3)4)6-11-9(12)5-10/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyLSDILPHCHISCQU-UHFFFAOYSA-N
MW271.68 g/mol
LogP2.34
Rot. Bonds7

About 2-chloro-N-[di(propan-2-yloxy)phosphorylmethyl]acetamide

2-chloro-N-[di(propan-2-yloxy)phosphorylmethyl]acetamide (PubChem CID 54049884) has the molecular formula C9H19ClNO4P and a molecular weight of 271.68 g/mol. Its IUPAC name is 2-chloro-N-[di(propan-2-yloxy)phosphorylmethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[di(propan-2-yloxy)phosphorylmethyl]acetamide
PubChem CID54049884
Molecular FormulaC9H19ClNO4P
Molecular Weight271.68 g/mol
Exact Mass271.07
IUPAC Name2-chloro-N-[di(propan-2-yloxy)phosphorylmethyl]acetamide
SMILESCC(C)OP(=O)(CNC(=O)CCl)OC(C)C
InChIInChI=1S/C9H19ClNO4P/c1-7(2)14-16(13,15-8(3)4)6-11-9(12)5-10/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyLSDILPHCHISCQU-UHFFFAOYSA-N
XLogP2.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.68
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[di(propan-2-yloxy)phosphorylmethyl]acetamide?
The IUPAC name of 2-chloro-N-[di(propan-2-yloxy)phosphorylmethyl]acetamide (CID 54049884) is 2-chloro-N-[di(propan-2-yloxy)phosphorylmethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[di(propan-2-yloxy)phosphorylmethyl]acetamide?
The canonical SMILES for 2-chloro-N-[di(propan-2-yloxy)phosphorylmethyl]acetamide is CC(C)OP(=O)(CNC(=O)CCl)OC(C)C.
What is the InChIKey of 2-chloro-N-[di(propan-2-yloxy)phosphorylmethyl]acetamide?
The InChIKey is LSDILPHCHISCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClNO4P/c1-7(2)14-16(13,15-8(3)4)6-11-9(12)5-10/h7-8H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 2-chloro-N-[di(propan-2-yloxy)phosphorylmethyl]acetamide?
2-chloro-N-[di(propan-2-yloxy)phosphorylmethyl]acetamide has a molecular weight of 271.68 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[di(propan-2-yloxy)phosphorylmethyl]acetamide is sourced from PubChem (CID 54049884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).