N-[2-(2-bromoanilino)-2-oxoethyl]cyclopentanecarboxamide

C14H17BrN2O2 — CID 8503104

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]cyclopentanecarboxamide
SMILESO=C(CNC(=O)C1CCCC1)Nc1ccccc1Br
InChIInChI=1S/C14H17BrN2O2/c15-11-7-3-4-8-12(11)17-13(18)9-16-14(19)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,16,19)(H,17,18)
InChIKeyDCWGGDPIXUYPMK-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.69
Rot. Bonds4

About N-[2-(2-bromoanilino)-2-oxoethyl]cyclopentanecarboxamide

N-[2-(2-bromoanilino)-2-oxoethyl]cyclopentanecarboxamide (PubChem CID 8503104) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]cyclopentanecarboxamide
PubChem CID8503104
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]cyclopentanecarboxamide
SMILESO=C(CNC(=O)C1CCCC1)Nc1ccccc1Br
InChIInChI=1S/C14H17BrN2O2/c15-11-7-3-4-8-12(11)17-13(18)9-16-14(19)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,16,19)(H,17,18)
InChIKeyDCWGGDPIXUYPMK-UHFFFAOYSA-N
XLogP2.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(2-bromoanilino)-2-oxoethyl]cyclopentanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]cyclopentanecarboxamide (CID 8503104) is N-[2-(2-bromoanilino)-2-oxoethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]cyclopentanecarboxamide is O=C(CNC(=O)C1CCCC1)Nc1ccccc1Br.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]cyclopentanecarboxamide?
The InChIKey is DCWGGDPIXUYPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c15-11-7-3-4-8-12(11)17-13(18)9-16-14(19)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,16,19)(H,17,18).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]cyclopentanecarboxamide?
N-[2-(2-bromoanilino)-2-oxoethyl]cyclopentanecarboxamide has a molecular weight of 325.21 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]cyclopentanecarboxamide is sourced from PubChem (CID 8503104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).