[dichloro(phenyl)methyl] carbamate

C8H7Cl2NO2 — CID 66779545

IUPAC[dichloro(phenyl)methyl] carbamate
SMILESNC(=O)OC(Cl)(Cl)c1ccccc1
InChIInChI=1S/C8H7Cl2NO2/c9-8(10,13-7(11)12)6-4-2-1-3-5-6/h1-5H,(H2,11,12)
InChIKeyMAZIOXRSAWPYIU-UHFFFAOYSA-N
MW220.06 g/mol
LogP2.37
Rot. Bonds2

About [dichloro(phenyl)methyl] carbamate

[dichloro(phenyl)methyl] carbamate (PubChem CID 66779545) has the molecular formula C8H7Cl2NO2 and a molecular weight of 220.06 g/mol. Its IUPAC name is [dichloro(phenyl)methyl] carbamate.

Molecular Properties

Compound Name[dichloro(phenyl)methyl] carbamate
PubChem CID66779545
Molecular FormulaC8H7Cl2NO2
Molecular Weight220.06 g/mol
Exact Mass218.99
IUPAC Name[dichloro(phenyl)methyl] carbamate
SMILESNC(=O)OC(Cl)(Cl)c1ccccc1
InChIInChI=1S/C8H7Cl2NO2/c9-8(10,13-7(11)12)6-4-2-1-3-5-6/h1-5H,(H2,11,12)
InChIKeyMAZIOXRSAWPYIU-UHFFFAOYSA-N
XLogP2.37
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.06
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[dichloro(phenyl)methoxy]-2-oxoacetic acid
CID 69112894
1,1-diphenylethyl carbamate
CID 20976713
2-phenylpropan-2-yl carbamate;propane
CID 175117543
(1,1,1-trichloro-2-hydroxy-3-phenylpropan-2-yl) carbamate
CID 175549972
[dichloro(phenyl)methyl] indole-1-carboxylate
CID 173362473
2-phenylpropan-2-yl carbamate;triazine
CID 175317110
ditrityl 2-chloropropanedioate
CID 139617895
[carbamoyloxy(diphenyl)methyl] N-ethylcarbamate
CID 164942360
benzoic acid;tert-butyl carbamate;methanethiol
CID 168913847
2-oxo-3,3,3-triphenylpropanamide
CID 174934653
2-chloro-1,2,2-triphenylethanone
CID 11301235
2-amino-2-hydroxy-2-phenylacetamide
CID 149436781

Frequently Asked Questions

What is the IUPAC name of [dichloro(phenyl)methyl] carbamate?
The IUPAC name of [dichloro(phenyl)methyl] carbamate (CID 66779545) is [dichloro(phenyl)methyl] carbamate.
What is the SMILES notation for [dichloro(phenyl)methyl] carbamate?
The canonical SMILES for [dichloro(phenyl)methyl] carbamate is NC(=O)OC(Cl)(Cl)c1ccccc1.
What is the InChIKey of [dichloro(phenyl)methyl] carbamate?
The InChIKey is MAZIOXRSAWPYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO2/c9-8(10,13-7(11)12)6-4-2-1-3-5-6/h1-5H,(H2,11,12).
What are the key properties of [dichloro(phenyl)methyl] carbamate?
[dichloro(phenyl)methyl] carbamate has a molecular weight of 220.06 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dichloro(phenyl)methyl] carbamate is sourced from PubChem (CID 66779545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).