tert-butyl N-[2-(4-chloro-3-methylanilino)-2-oxoethyl]carbamate

C14H19ClN2O3 — CID 134311773

IUPACtert-butyl N-[2-(4-chloro-3-methylanilino)-2-oxoethyl]carbamate
SMILESCc1cc(NC(=O)CNC(=O)OC(C)(C)C)ccc1Cl
InChIInChI=1S/C14H19ClN2O3/c1-9-7-10(5-6-11(9)15)17-12(18)8-16-13(19)20-14(2,3)4/h5-7H,8H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyHRVTZJLELJQTKW-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.11
Rot. Bonds3

About tert-butyl N-[2-(4-chloro-3-methylanilino)-2-oxoethyl]carbamate

tert-butyl N-[2-(4-chloro-3-methylanilino)-2-oxoethyl]carbamate (PubChem CID 134311773) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is tert-butyl N-[2-(4-chloro-3-methylanilino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-chloro-3-methylanilino)-2-oxoethyl]carbamate
PubChem CID134311773
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Nametert-butyl N-[2-(4-chloro-3-methylanilino)-2-oxoethyl]carbamate
SMILESCc1cc(NC(=O)CNC(=O)OC(C)(C)C)ccc1Cl
InChIInChI=1S/C14H19ClN2O3/c1-9-7-10(5-6-11(9)15)17-12(18)8-16-13(19)20-14(2,3)4/h5-7H,8H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyHRVTZJLELJQTKW-UHFFFAOYSA-N
XLogP3.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[4-[(2-chlorobenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108916913
tert-butyl N-[2-[4-[[2-(4-chlorophenyl)acetyl]amino]anilino]-2-oxoethyl]carbamate
CID 108917028
tert-butyl N-[2-(4-ethylanilino)-2-oxoethyl]carbamate
CID 60596094
methyl N-(4-chloro-3-methylphenyl)carbamate
CID 67274830
tert-butyl N-[4-(3,4-dimethylanilino)-4-oxobutyl]carbamate
CID 9138446
tert-butyl N-[2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxoethyl]carbamate
CID 60596349
tert-butyl N-[2-[3-[(3-chlorobenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108917112
tert-butyl N-[2-(3-ethynylanilino)-2-oxoethyl]carbamate
CID 47451721
tert-butyl N-[2-[4-[3-(3-chlorophenyl)propanoylamino]anilino]-2-oxoethyl]carbamate
CID 108917038
tert-butyl N-[2-oxo-2-[3-(pentanoylamino)anilino]ethyl]carbamate
CID 108917175
tert-butyl N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]carbamate
CID 86860346
tert-butyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
CID 25239151

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-chloro-3-methylanilino)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-chloro-3-methylanilino)-2-oxoethyl]carbamate (CID 134311773) is tert-butyl N-[2-(4-chloro-3-methylanilino)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-chloro-3-methylanilino)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-chloro-3-methylanilino)-2-oxoethyl]carbamate is Cc1cc(NC(=O)CNC(=O)OC(C)(C)C)ccc1Cl.
What is the InChIKey of tert-butyl N-[2-(4-chloro-3-methylanilino)-2-oxoethyl]carbamate?
The InChIKey is HRVTZJLELJQTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-9-7-10(5-6-11(9)15)17-12(18)8-16-13(19)20-14(2,3)4/h5-7H,8H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of tert-butyl N-[2-(4-chloro-3-methylanilino)-2-oxoethyl]carbamate?
tert-butyl N-[2-(4-chloro-3-methylanilino)-2-oxoethyl]carbamate has a molecular weight of 298.77 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-chloro-3-methylanilino)-2-oxoethyl]carbamate is sourced from PubChem (CID 134311773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).