ethyl N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]carbamate

C14H19ClN2O4 — CID 113060315

IUPACethyl N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]carbamate
SMILESCCOC(=O)NCCN(C(C)=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H19ClN2O4/c1-4-21-14(19)16-7-8-17(10(2)18)12-9-11(15)5-6-13(12)20-3/h5-6,9H,4,7-8H2,1-3H3,(H,16,19)
InChIKeyFJNZWSAPBUMDLD-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.45
Rot. Bonds6

About ethyl N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]carbamate

ethyl N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]carbamate (PubChem CID 113060315) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is ethyl N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]carbamate
PubChem CID113060315
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Nameethyl N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]carbamate
SMILESCCOC(=O)NCCN(C(C)=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H19ClN2O4/c1-4-21-14(19)16-7-8-17(10(2)18)12-9-11(15)5-6-13(12)20-3/h5-6,9H,4,7-8H2,1-3H3,(H,16,19)
InChIKeyFJNZWSAPBUMDLD-UHFFFAOYSA-N
XLogP2.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]carbamate
CID 113059937
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]-4-chlorobenzamide
CID 113060301
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]pentanamide
CID 113060271
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]benzamide
CID 113060279
N-(5-chloro-2-methoxyphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113060320
ethyl N-[2-(N-acetyl-2-methylanilino)ethyl]carbamate
CID 113057346
3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113128529
N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]propanamide
CID 113061146
methyl N-[2-(N-acetyl-2-methoxyanilino)ethyl]carbamate
CID 113060483
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(3-methylbutyl)acetamide
CID 113172837
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylpropanamide
CID 113059796
3-amino-N-(5-chloro-2-methoxyphenyl)-N-ethylpropanamide
CID 28795390

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]carbamate (CID 113060315) is ethyl N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]carbamate is CCOC(=O)NCCN(C(C)=O)c1cc(Cl)ccc1OC.
What is the InChIKey of ethyl N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]carbamate?
The InChIKey is FJNZWSAPBUMDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-4-21-14(19)16-7-8-17(10(2)18)12-9-11(15)5-6-13(12)20-3/h5-6,9H,4,7-8H2,1-3H3,(H,16,19).
What are the key properties of ethyl N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]carbamate?
ethyl N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]carbamate has a molecular weight of 314.77 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]carbamate is sourced from PubChem (CID 113060315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).