phenylmethoxycarbonylaminomethyl carbonochloridate

C10H10ClNO4 — CID 23599847

IUPACphenylmethoxycarbonylaminomethyl carbonochloridate
SMILESO=C(Cl)OCNC(=O)OCc1ccccc1
InChIInChI=1S/C10H10ClNO4/c11-9(13)16-7-12-10(14)15-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14)
InChIKeyUIXAOZYAWLCDIM-UHFFFAOYSA-N
MW243.65 g/mol
LogP2.25
Rot. Bonds4

About phenylmethoxycarbonylaminomethyl carbonochloridate

phenylmethoxycarbonylaminomethyl carbonochloridate (PubChem CID 23599847) has the molecular formula C10H10ClNO4 and a molecular weight of 243.65 g/mol. Its IUPAC name is phenylmethoxycarbonylaminomethyl carbonochloridate.

Molecular Properties

Compound Namephenylmethoxycarbonylaminomethyl carbonochloridate
PubChem CID23599847
Molecular FormulaC10H10ClNO4
Molecular Weight243.65 g/mol
Exact Mass243.03
IUPAC Namephenylmethoxycarbonylaminomethyl carbonochloridate
SMILESO=C(Cl)OCNC(=O)OCc1ccccc1
InChIInChI=1S/C10H10ClNO4/c11-9(13)16-7-12-10(14)15-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14)
InChIKeyUIXAOZYAWLCDIM-UHFFFAOYSA-N
XLogP2.25
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzyl carbonochloridate
CID 10387
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
phenylmethoxycarbonylaminomethyl phosphate
CID 20975300
phenylmethoxycarbonylaminomethyl 2-hydroxy-2-methylpropanoate
CID 57154760
benzyl N-chlorocarbamate
CID 2755304
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
benzyl N-(2-amino-2-phenylethyl)carbamate
CID 19016786
benzyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 5001228
benzyl carbonochloridate;toluene
CID 86663382
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264

Frequently Asked Questions

What is the IUPAC name of phenylmethoxycarbonylaminomethyl carbonochloridate?
The IUPAC name of phenylmethoxycarbonylaminomethyl carbonochloridate (CID 23599847) is phenylmethoxycarbonylaminomethyl carbonochloridate.
What is the SMILES notation for phenylmethoxycarbonylaminomethyl carbonochloridate?
The canonical SMILES for phenylmethoxycarbonylaminomethyl carbonochloridate is O=C(Cl)OCNC(=O)OCc1ccccc1.
What is the InChIKey of phenylmethoxycarbonylaminomethyl carbonochloridate?
The InChIKey is UIXAOZYAWLCDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO4/c11-9(13)16-7-12-10(14)15-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14).
What are the key properties of phenylmethoxycarbonylaminomethyl carbonochloridate?
phenylmethoxycarbonylaminomethyl carbonochloridate has a molecular weight of 243.65 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethoxycarbonylaminomethyl carbonochloridate is sourced from PubChem (CID 23599847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).