(3-chloro-2-methylphenyl) N-tert-butylcarbamate

C12H16ClNO2 — CID 174536414

IUPAC(3-chloro-2-methylphenyl) N-tert-butylcarbamate
SMILESCc1c(Cl)cccc1OC(=O)NC(C)(C)C
InChIInChI=1S/C12H16ClNO2/c1-8-9(13)6-5-7-10(8)16-11(15)14-12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChIKeyLWJGWLQWXBGMQA-UHFFFAOYSA-N
MW241.72 g/mol
LogP3.54
Rot. Bonds1

About (3-chloro-2-methylphenyl) N-tert-butylcarbamate

(3-chloro-2-methylphenyl) N-tert-butylcarbamate (PubChem CID 174536414) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl) N-tert-butylcarbamate
PubChem CID174536414
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name(3-chloro-2-methylphenyl) N-tert-butylcarbamate
SMILESCc1c(Cl)cccc1OC(=O)NC(C)(C)C
InChIInChI=1S/C12H16ClNO2/c1-8-9(13)6-5-7-10(8)16-11(15)14-12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChIKeyLWJGWLQWXBGMQA-UHFFFAOYSA-N
XLogP3.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)phenyl] N-tert-butylcarbamate
CID 141322688
N-(1-amino-2-methylpropan-2-yl)-2-(3-chloro-2-methylphenoxy)acetamide
CID 119524681
N-tert-butyl-2,6-dichlorobenzamide
CID 690474
N'-tert-butyl-N-(3-chloro-2-methylphenyl)propanediamide
CID 108951471
(5-bromo-4-chloro-2-fluorophenyl) N-tert-butylcarbamate
CID 175573309
(2,3-dichlorophenyl) N-methylcarbamate;hydrochloride
CID 141106897
(2-cyclohexylphenyl) N-tert-butylcarbamate
CID 174539940
[2-(3-bromopropyl)phenyl] N-tert-butylcarbamate
CID 174427179
(3,5-dichlorophenyl) N-tert-butylcarbamate
CID 174575887
(3-aminonaphthalen-2-yl) N-tert-butylcarbamate
CID 174570423
3-(3-chloro-4-methylphenyl)-1,1-dimethylurea;[3-(dimethylcarbamoylamino)phenyl] N-tert-butylcarbamate
CID 160620373
N-(tert-butylcarbamoyl)-2-(3-chloro-2-methylanilino)acetamide
CID 26507318

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl) N-tert-butylcarbamate?
The IUPAC name of (3-chloro-2-methylphenyl) N-tert-butylcarbamate (CID 174536414) is (3-chloro-2-methylphenyl) N-tert-butylcarbamate.
What is the SMILES notation for (3-chloro-2-methylphenyl) N-tert-butylcarbamate?
The canonical SMILES for (3-chloro-2-methylphenyl) N-tert-butylcarbamate is Cc1c(Cl)cccc1OC(=O)NC(C)(C)C.
What is the InChIKey of (3-chloro-2-methylphenyl) N-tert-butylcarbamate?
The InChIKey is LWJGWLQWXBGMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-8-9(13)6-5-7-10(8)16-11(15)14-12(2,3)4/h5-7H,1-4H3,(H,14,15).
What are the key properties of (3-chloro-2-methylphenyl) N-tert-butylcarbamate?
(3-chloro-2-methylphenyl) N-tert-butylcarbamate has a molecular weight of 241.72 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl) N-tert-butylcarbamate is sourced from PubChem (CID 174536414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).