[4-(2-chloroacetyl)phenyl] carbamate

C9H8ClNO3 — CID 118695962

IUPAC[4-(2-chloroacetyl)phenyl] carbamate
SMILESNC(=O)Oc1ccc(C(=O)CCl)cc1
InChIInChI=1S/C9H8ClNO3/c10-5-8(12)6-1-3-7(4-2-6)14-9(11)13/h1-4H,5H2,(H2,11,13)
InChIKeyXKXJAPHKAIOTHI-UHFFFAOYSA-N
MW213.62 g/mol
LogP1.57
Rot. Bonds3

About [4-(2-chloroacetyl)phenyl] carbamate

[4-(2-chloroacetyl)phenyl] carbamate (PubChem CID 118695962) has the molecular formula C9H8ClNO3 and a molecular weight of 213.62 g/mol. Its IUPAC name is [4-(2-chloroacetyl)phenyl] carbamate.

Molecular Properties

Compound Name[4-(2-chloroacetyl)phenyl] carbamate
PubChem CID118695962
Molecular FormulaC9H8ClNO3
Molecular Weight213.62 g/mol
Exact Mass213.02
IUPAC Name[4-(2-chloroacetyl)phenyl] carbamate
SMILESNC(=O)Oc1ccc(C(=O)CCl)cc1
InChIInChI=1S/C9H8ClNO3/c10-5-8(12)6-1-3-7(4-2-6)14-9(11)13/h1-4H,5H2,(H2,11,13)
InChIKeyXKXJAPHKAIOTHI-UHFFFAOYSA-N
XLogP1.57
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-acetylphenyl) carbamate;ethane
CID 163253714
[4-(methylcarbamoyl)phenyl] carbamate
CID 20789580
2-chloro-1-[4-[[4-(2-chloroacetyl)phenyl]methoxymethyl]phenyl]ethanone
CID 58209553
(4-ethylphenyl) carbamate
CID 1269945
2-chloro-1-(4-phenylmethoxyphenyl)ethanone
CID 14579462
2-chloro-1-[4-(4-nitrophenoxy)phenyl]ethanone
CID 93192486
2-(4-carbamoyloxyphenyl)acetic acid
CID 54293995
3-[4-(2-chloroacetyl)phenyl]-2,3-dihydroxypropanamide
CID 171868481
(4-carbamoylphenyl) carbonochloridate
CID 119084646
ethyl [4-(2-iodoacetyl)phenyl] carbonate
CID 89348035
(3-chloro-4-methylphenyl) carbamate
CID 18431892
(4-propan-2-ylphenyl) carbamate
CID 57008477

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloroacetyl)phenyl] carbamate?
The IUPAC name of [4-(2-chloroacetyl)phenyl] carbamate (CID 118695962) is [4-(2-chloroacetyl)phenyl] carbamate.
What is the SMILES notation for [4-(2-chloroacetyl)phenyl] carbamate?
The canonical SMILES for [4-(2-chloroacetyl)phenyl] carbamate is NC(=O)Oc1ccc(C(=O)CCl)cc1.
What is the InChIKey of [4-(2-chloroacetyl)phenyl] carbamate?
The InChIKey is XKXJAPHKAIOTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO3/c10-5-8(12)6-1-3-7(4-2-6)14-9(11)13/h1-4H,5H2,(H2,11,13).
What are the key properties of [4-(2-chloroacetyl)phenyl] carbamate?
[4-(2-chloroacetyl)phenyl] carbamate has a molecular weight of 213.62 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloroacetyl)phenyl] carbamate is sourced from PubChem (CID 118695962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).