[4-(chloroamino)phenyl]methyl N-methylcarbamate

C9H11ClN2O2 — CID 139307114

IUPAC[4-(chloroamino)phenyl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1ccc(NCl)cc1
InChIInChI=1S/C9H11ClN2O2/c1-11-9(13)14-6-7-2-4-8(12-10)5-3-7/h2-5,12H,6H2,1H3,(H,11,13)
InChIKeyDANCCDLVRRWCMG-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.11
Rot. Bonds3

About [4-(chloroamino)phenyl]methyl N-methylcarbamate

[4-(chloroamino)phenyl]methyl N-methylcarbamate (PubChem CID 139307114) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is [4-(chloroamino)phenyl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[4-(chloroamino)phenyl]methyl N-methylcarbamate
PubChem CID139307114
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name[4-(chloroamino)phenyl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1ccc(NCl)cc1
InChIInChI=1S/C9H11ClN2O2/c1-11-9(13)14-6-7-2-4-8(12-10)5-3-7/h2-5,12H,6H2,1H3,(H,11,13)
InChIKeyDANCCDLVRRWCMG-UHFFFAOYSA-N
XLogP2.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl-[4-(methylcarbamoyloxymethyl)anilino]chloranium
CID 143747920
[4-[[(2S)-2-aminopropanoyl]amino]phenyl]methyl N-methylcarbamate
CID 166675608
furan-3-ylmethyl N-methylcarbamate
CID 57025329
ethane;[4-(methylamino)phenyl]methyl N-[2-(methylamino)-2-oxoethyl]carbamate
CID 142474647
[4-[[(2S)-5-(carbamoylamino)-2-methylpentanoyl]amino]phenyl]methyl N-methylcarbamate
CID 139354555
[4-[4-amino-1-(methylamino)butyl]phenyl]methyl N-methylcarbamate
CID 144618323
(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl N-methylcarbamate
CID 22745182
[3-(methylcarbamoylamino)phenyl]methyl N-methylcarbamate
CID 134123018
benzyl N-chlorocarbamate
CID 2755304
[3-fluoro-4-(propanoylamino)phenyl]methyl N-methylcarbamate
CID 170257650
[4-[[4-(methylamino)phenyl]methoxycarbonylamino]phenyl]methyl formate
CID 130458380
(4-acetamidophenyl)methyl N-tert-butylcarbamate
CID 155455042

Frequently Asked Questions

What is the IUPAC name of [4-(chloroamino)phenyl]methyl N-methylcarbamate?
The IUPAC name of [4-(chloroamino)phenyl]methyl N-methylcarbamate (CID 139307114) is [4-(chloroamino)phenyl]methyl N-methylcarbamate.
What is the SMILES notation for [4-(chloroamino)phenyl]methyl N-methylcarbamate?
The canonical SMILES for [4-(chloroamino)phenyl]methyl N-methylcarbamate is CNC(=O)OCc1ccc(NCl)cc1.
What is the InChIKey of [4-(chloroamino)phenyl]methyl N-methylcarbamate?
The InChIKey is DANCCDLVRRWCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-11-9(13)14-6-7-2-4-8(12-10)5-3-7/h2-5,12H,6H2,1H3,(H,11,13).
What are the key properties of [4-(chloroamino)phenyl]methyl N-methylcarbamate?
[4-(chloroamino)phenyl]methyl N-methylcarbamate has a molecular weight of 214.65 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloroamino)phenyl]methyl N-methylcarbamate is sourced from PubChem (CID 139307114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).