(4-carbamoylphenyl) carbonochloridate

C8H6ClNO3 — CID 119084646

IUPAC(4-carbamoylphenyl) carbonochloridate
SMILESNC(=O)c1ccc(OC(=O)Cl)cc1
InChIInChI=1S/C8H6ClNO3/c9-8(12)13-6-3-1-5(2-4-6)7(10)11/h1-4H,(H2,10,11)
InChIKeyRXWMVBDYABRJMK-UHFFFAOYSA-N
MW199.59 g/mol
LogP1.52
Rot. Bonds2

About (4-carbamoylphenyl) carbonochloridate

(4-carbamoylphenyl) carbonochloridate (PubChem CID 119084646) has the molecular formula C8H6ClNO3 and a molecular weight of 199.59 g/mol. Its IUPAC name is (4-carbamoylphenyl) carbonochloridate.

Molecular Properties

Compound Name(4-carbamoylphenyl) carbonochloridate
PubChem CID119084646
Molecular FormulaC8H6ClNO3
Molecular Weight199.59 g/mol
Exact Mass199.00
IUPAC Name(4-carbamoylphenyl) carbonochloridate
SMILESNC(=O)c1ccc(OC(=O)Cl)cc1
InChIInChI=1S/C8H6ClNO3/c9-8(12)13-6-3-1-5(2-4-6)7(10)11/h1-4H,(H2,10,11)
InChIKeyRXWMVBDYABRJMK-UHFFFAOYSA-N
XLogP1.52
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.59
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-carbamoylphenoxy)benzamide
CID 156597124
(4-carbamoylphenyl) 2-methylprop-2-enoate
CID 53440858
methanamine;phenyl carbonochloridate
CID 91260916
4-(4-carbamoylphenoxy)-4-oxobutanoic acid
CID 141195001
[4-(hydroperoxyamino)phenyl] carbonochloridate
CID 59118034
potassium;benzene-1,4-dicarboxamide;hydride
CID 174539787
(6-carbonochloridoyloxynaphthalen-2-yl) carbonochloridate
CID 23213740
iron;phenyl carbonochloridate
CID 159914445
(4-carbamoylphenyl) 4-(aminomethyl)benzoate
CID 166334939
4-(4-hydroxyphenoxy)benzamide
CID 60869896
bis(4-carbamoylphenoxy)-oxophosphanium
CID 175103323
(4-nitrosophenyl) carbonochloridate
CID 87075345

Frequently Asked Questions

What is the IUPAC name of (4-carbamoylphenyl) carbonochloridate?
The IUPAC name of (4-carbamoylphenyl) carbonochloridate (CID 119084646) is (4-carbamoylphenyl) carbonochloridate.
What is the SMILES notation for (4-carbamoylphenyl) carbonochloridate?
The canonical SMILES for (4-carbamoylphenyl) carbonochloridate is NC(=O)c1ccc(OC(=O)Cl)cc1.
What is the InChIKey of (4-carbamoylphenyl) carbonochloridate?
The InChIKey is RXWMVBDYABRJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO3/c9-8(12)13-6-3-1-5(2-4-6)7(10)11/h1-4H,(H2,10,11).
What are the key properties of (4-carbamoylphenyl) carbonochloridate?
(4-carbamoylphenyl) carbonochloridate has a molecular weight of 199.59 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoylphenyl) carbonochloridate is sourced from PubChem (CID 119084646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).