[5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium

C11H16ClN2O2+ — CID 144745130

IUPAC[5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium
SMILESCC(C)(C)OC(=O)Nc1ccc(Cl)cc1[NH3+]
InChIInChI=1S/C11H15ClN2O2/c1-11(2,3)16-10(15)14-9-5-4-7(12)6-8(9)13/h4-6H,13H2,1-3H3,(H,14,15)/p+1
InChIKeyRAAXZOKVGWKKCP-UHFFFAOYSA-O
MW243.71 g/mol
LogP2.56
Rot. Bonds1

About [5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium

[5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium (PubChem CID 144745130) has the molecular formula C11H16ClN2O2+ and a molecular weight of 243.71 g/mol. Its IUPAC name is [5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium.

Molecular Properties

Compound Name[5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium
PubChem CID144745130
Molecular FormulaC11H16ClN2O2+
Molecular Weight243.71 g/mol
Exact Mass243.09
IUPAC Name[5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium
SMILESCC(C)(C)OC(=O)Nc1ccc(Cl)cc1[NH3+]
InChIInChI=1S/C11H15ClN2O2/c1-11(2,3)16-10(15)14-9-5-4-7(12)6-8(9)13/h4-6H,13H2,1-3H3,(H,14,15)/p+1
InChIKeyRAAXZOKVGWKKCP-UHFFFAOYSA-O
XLogP2.56
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(2,5-dichlorophenyl)carbamate
CID 4935502
tert-butyl N-[4-chloro-2-(chloromethyl)phenyl]carbamate
CID 117236568
tert-butyl N-(2,3-dichloro-4-fluorophenyl)carbamate
CID 68582591
tert-butyl N-[5-chloro-2-(hydroxymethyl)phenyl]carbamate
CID 117236586
tert-butyl N-(2-chloro-4-hydroxyphenyl)carbamate
CID 54121498
tert-butyl N-[2-(4-bromobenzoyl)-4-chlorophenyl]carbamate
CID 59346594
tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-chlorophenyl]carbamate
CID 170985605
tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
tert-butyl N-[4-[1-(4-chlorophenyl)ethenyl]-2-methylphenyl]carbamate
CID 23074928
tert-butyl N-(5-chloro-2,4-difluorophenyl)carbamate
CID 131118705
tert-butyl N-[2-chloro-4-(chloromethyl)phenyl]carbamate
CID 117236536
tert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate
CID 138469738

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium?
The IUPAC name of [5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium (CID 144745130) is [5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium.
What is the SMILES notation for [5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium?
The canonical SMILES for [5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium is CC(C)(C)OC(=O)Nc1ccc(Cl)cc1[NH3+].
What is the InChIKey of [5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium?
The InChIKey is RAAXZOKVGWKKCP-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H15ClN2O2/c1-11(2,3)16-10(15)14-9-5-4-7(12)6-8(9)13/h4-6H,13H2,1-3H3,(H,14,15)/p+1.
What are the key properties of [5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium?
[5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium has a molecular weight of 243.71 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium is sourced from PubChem (CID 144745130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).