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

C14H19ClN2O4 — CID 86860346

IUPACtert-butyl N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]carbamate
SMILESCOc1ccc(NC(=O)CNC(=O)OC(C)(C)C)c(Cl)c1
InChIInChI=1S/C14H19ClN2O4/c1-14(2,3)21-13(19)16-8-12(18)17-11-6-5-9(20-4)7-10(11)15/h5-7H,8H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyIFUGIAJPHPWUHJ-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.81
Rot. Bonds4

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

tert-butyl N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]carbamate (PubChem CID 86860346) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is tert-butyl N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]carbamate
PubChem CID86860346
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Nametert-butyl N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]carbamate
SMILESCOc1ccc(NC(=O)CNC(=O)OC(C)(C)C)c(Cl)c1
InChIInChI=1S/C14H19ClN2O4/c1-14(2,3)21-13(19)16-8-12(18)17-11-6-5-9(20-4)7-10(11)15/h5-7H,8H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyIFUGIAJPHPWUHJ-UHFFFAOYSA-N
XLogP2.81
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]carbamate
CID 75526718
N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 86860337
methyl 3-methoxy-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]benzoate
CID 138683323
tert-butyl N-[2-(4-chloro-3-methylanilino)-2-oxoethyl]carbamate
CID 134311773
N-(2-chloro-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 115178559
2-[(2-chloro-4-methoxyphenyl)carbamoylamino]acetic acid
CID 82500241
tert-butyl N-[2-(2-fluoro-4-hydroxyanilino)-2-oxoethyl]carbamate
CID 165341337
N-(2-chloro-4-methoxyphenyl)-4-methoxybutanamide
CID 86858023
tert-butyl N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]carbamate
CID 47451260
N-(2-chlorophenyl)-2-(4-methoxy-2-methylanilino)acetamide
CID 62871342
(2-chloro-4-methoxyphenyl)carbamothioic S-acid
CID 115169707
N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 32736215

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]carbamate (CID 86860346) is tert-butyl N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]carbamate is COc1ccc(NC(=O)CNC(=O)OC(C)(C)C)c(Cl)c1.
What is the InChIKey of tert-butyl N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]carbamate?
The InChIKey is IFUGIAJPHPWUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-14(2,3)21-13(19)16-8-12(18)17-11-6-5-9(20-4)7-10(11)15/h5-7H,8H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of tert-butyl N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]carbamate?
tert-butyl N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]carbamate has a molecular weight of 314.77 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]carbamate is sourced from PubChem (CID 86860346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).