[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate

C16H19BrN2O4 — CID 3657721

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Br)cc1)NC(=O)NC1CCCC1
InChIInChI=1S/C16H19BrN2O4/c17-12-7-5-11(6-8-12)9-15(21)23-10-14(20)19-16(22)18-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H2,18,19,20,22)
InChIKeyGAMZZROFFBBODB-UHFFFAOYSA-N
MW383.24 g/mol
LogP2.30
Rot. Bonds5

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate (PubChem CID 3657721) has the molecular formula C16H19BrN2O4 and a molecular weight of 383.24 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate
PubChem CID3657721
Molecular FormulaC16H19BrN2O4
Molecular Weight383.24 g/mol
Exact Mass382.05
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Br)cc1)NC(=O)NC1CCCC1
InChIInChI=1S/C16H19BrN2O4/c17-12-7-5-11(6-8-12)9-15(21)23-10-14(20)19-16(22)18-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H2,18,19,20,22)
InChIKeyGAMZZROFFBBODB-UHFFFAOYSA-N
XLogP2.30
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2520948
[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 8764018
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-nitrophenyl)acetate
CID 8851361
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011250
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 55317696
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 9460662
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-(4-bromophenyl)prop-2-enoate
CID 7486431
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 46609621
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 9364173
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149210
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8589718
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 5-bromo-2-fluorobenzoate
CID 8803511

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate (CID 3657721) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate is O=C(COC(=O)Cc1ccc(Br)cc1)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate?
The InChIKey is GAMZZROFFBBODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O4/c17-12-7-5-11(6-8-12)9-15(21)23-10-14(20)19-16(22)18-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H2,18,19,20,22).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate has a molecular weight of 383.24 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate is sourced from PubChem (CID 3657721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).