1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide

C16H21BrN2O2 — CID 86920161

IUPAC1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
SMILESCCNC(=O)CNC(=O)C1(c2ccc(Br)cc2)CCCC1
InChIInChI=1S/C16H21BrN2O2/c1-2-18-14(20)11-19-15(21)16(9-3-4-10-16)12-5-7-13(17)8-6-12/h5-8H,2-4,9-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyUEUIZRTZNAMJJJ-UHFFFAOYSA-N
MW353.26 g/mol
LogP2.51
Rot. Bonds5

About 1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide

1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide (PubChem CID 86920161) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
PubChem CID86920161
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
SMILESCCNC(=O)CNC(=O)C1(c2ccc(Br)cc2)CCCC1
InChIInChI=1S/C16H21BrN2O2/c1-2-18-14(20)11-19-15(21)16(9-3-4-10-16)12-5-7-13(17)8-6-12/h5-8H,2-4,9-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyUEUIZRTZNAMJJJ-UHFFFAOYSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromoanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide
CID 112846002
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
1-(4-bromophenyl)-N-pentan-3-ylcyclopentane-1-carboxamide
CID 46561555
1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide
CID 120830481
1-(4-bromophenyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 78845434
1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
CID 118534759
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 112761225
1-(4-bromophenyl)-N-(2-hydroxypropyl)cyclobutane-1-carboxamide
CID 78855875
N-ethyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 110487274
4-bromo-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821516
1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide
CID 115612940
1-(4-bromophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide
CID 115362333

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide (CID 86920161) is 1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide is CCNC(=O)CNC(=O)C1(c2ccc(Br)cc2)CCCC1.
What is the InChIKey of 1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
The InChIKey is UEUIZRTZNAMJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-2-18-14(20)11-19-15(21)16(9-3-4-10-16)12-5-7-13(17)8-6-12/h5-8H,2-4,9-11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide?
1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide has a molecular weight of 353.26 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 86920161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).