ethyl N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]carbamate

C17H17BrN2O4 — CID 35775899

IUPACethyl N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(OCC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C17H17BrN2O4/c1-2-23-17(22)20-14-4-3-5-15(10-14)24-11-16(21)19-13-8-6-12(18)7-9-13/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyAZIAZWQIMCJRFQ-UHFFFAOYSA-N
MW393.24 g/mol
LogP4.03
Rot. Bonds6

About ethyl N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]carbamate

ethyl N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]carbamate (PubChem CID 35775899) has the molecular formula C17H17BrN2O4 and a molecular weight of 393.24 g/mol. Its IUPAC name is ethyl N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]carbamate
PubChem CID35775899
Molecular FormulaC17H17BrN2O4
Molecular Weight393.24 g/mol
Exact Mass392.04
IUPAC Nameethyl N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(OCC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C17H17BrN2O4/c1-2-23-17(22)20-14-4-3-5-15(10-14)24-11-16(21)19-13-8-6-12(18)7-9-13/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyAZIAZWQIMCJRFQ-UHFFFAOYSA-N
XLogP4.03
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957
2-(4-bromophenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096693
ethyl N-[3-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]carbamate
CID 30011225
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide
CID 55902721
ethyl N-[3-[2-(4-chloro-3-nitroanilino)-2-oxoethoxy]phenyl]carbamate
CID 29183038
[2-(4-bromoanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 8526262
ethyl N-[3-[2-(2-tert-butylanilino)-2-oxoethoxy]phenyl]carbamate
CID 29183042
ethyl N-(3-propoxyphenyl)carbamate
CID 60643143
2-(4-bromophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154695
ethyl N-[3-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]phenyl]carbamate
CID 2092397
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
2-(4-bromophenoxy)-N-(3-butan-2-yloxyphenyl)acetamide
CID 17161566

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]carbamate (CID 35775899) is ethyl N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]carbamate is CCOC(=O)Nc1cccc(OCC(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of ethyl N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]carbamate?
The InChIKey is AZIAZWQIMCJRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O4/c1-2-23-17(22)20-14-4-3-5-15(10-14)24-11-16(21)19-13-8-6-12(18)7-9-13/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of ethyl N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]carbamate?
ethyl N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]carbamate has a molecular weight of 393.24 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]carbamate is sourced from PubChem (CID 35775899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).