tert-butyl N-[2-chloro-5-(methylcarbamoyl)phenyl]carbamate

C13H17ClN2O3 — CID 65142598

IUPACtert-butyl N-[2-chloro-5-(methylcarbamoyl)phenyl]carbamate
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C13H17ClN2O3/c1-13(2,3)19-12(18)16-10-7-8(11(17)15-4)5-6-9(10)14/h5-7H,1-4H3,(H,15,17)(H,16,18)
InChIKeyYYBVRDDMZBSJJA-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.05
Rot. Bonds2

About tert-butyl N-[2-chloro-5-(methylcarbamoyl)phenyl]carbamate

tert-butyl N-[2-chloro-5-(methylcarbamoyl)phenyl]carbamate (PubChem CID 65142598) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is tert-butyl N-[2-chloro-5-(methylcarbamoyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-chloro-5-(methylcarbamoyl)phenyl]carbamate
PubChem CID65142598
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Nametert-butyl N-[2-chloro-5-(methylcarbamoyl)phenyl]carbamate
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C13H17ClN2O3/c1-13(2,3)19-12(18)16-10-7-8(11(17)15-4)5-6-9(10)14/h5-7H,1-4H3,(H,15,17)(H,16,18)
InChIKeyYYBVRDDMZBSJJA-UHFFFAOYSA-N
XLogP3.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2,5-dichlorophenyl)carbamate
CID 4935502
3-[(2-amino-2-methylbutanoyl)amino]-4-chloro-N-methylbenzamide
CID 79796922
tert-butyl N-(2-chloro-5-nitrophenyl)carbamate
CID 58553070
6-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 60795097
tert-butyl N-[2-chloro-5-(1-hydroxycyclopropyl)phenyl]carbamate
CID 117117411
3-[(2-amino-2-cyclopropylpropanoyl)amino]-4-chloro-N-methylbenzamide
CID 60866296
methyl 4-chloro-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]benzoate
CID 112988623
tert-butyl N-[2-chloro-5-(2-hydroxypropyl)phenyl]carbamate
CID 117114508
4-chloro-3-(cyclopropylcarbamoylamino)-N-methylbenzamide
CID 47223819
tert-butyl N-(2-chloro-4-hydroxyphenyl)carbamate
CID 54121498
4-chloro-3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzamide
CID 43720994
4-chloro-N-methyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47223817

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-chloro-5-(methylcarbamoyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-chloro-5-(methylcarbamoyl)phenyl]carbamate (CID 65142598) is tert-butyl N-[2-chloro-5-(methylcarbamoyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-chloro-5-(methylcarbamoyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-chloro-5-(methylcarbamoyl)phenyl]carbamate is CNC(=O)c1ccc(Cl)c(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[2-chloro-5-(methylcarbamoyl)phenyl]carbamate?
The InChIKey is YYBVRDDMZBSJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-13(2,3)19-12(18)16-10-7-8(11(17)15-4)5-6-9(10)14/h5-7H,1-4H3,(H,15,17)(H,16,18).
What are the key properties of tert-butyl N-[2-chloro-5-(methylcarbamoyl)phenyl]carbamate?
tert-butyl N-[2-chloro-5-(methylcarbamoyl)phenyl]carbamate has a molecular weight of 284.74 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-chloro-5-(methylcarbamoyl)phenyl]carbamate is sourced from PubChem (CID 65142598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).