2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-pyrimidin-5-ylacetamide

C18H20BrN5O2 — CID 162660629

IUPAC2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-pyrimidin-5-ylacetamide
SMILESO=C(Nc1ccc(Br)cc1)NC(C(=O)Nc1cncnc1)C1CCCC1
InChIInChI=1S/C18H20BrN5O2/c19-13-5-7-14(8-6-13)23-18(26)24-16(12-3-1-2-4-12)17(25)22-15-9-20-11-21-10-15/h5-12,16H,1-4H2,(H,22,25)(H2,23,24,26)
InChIKeyLTWLBHGFCQQSTM-UHFFFAOYSA-N
MW418.30 g/mol
LogP3.56
Rot. Bonds5

About 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-pyrimidin-5-ylacetamide

2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-pyrimidin-5-ylacetamide (PubChem CID 162660629) has the molecular formula C18H20BrN5O2 and a molecular weight of 418.30 g/mol. Its IUPAC name is 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-pyrimidin-5-ylacetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-pyrimidin-5-ylacetamide
PubChem CID162660629
Molecular FormulaC18H20BrN5O2
Molecular Weight418.30 g/mol
Exact Mass417.08
IUPAC Name2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-pyrimidin-5-ylacetamide
SMILESO=C(Nc1ccc(Br)cc1)NC(C(=O)Nc1cncnc1)C1CCCC1
InChIInChI=1S/C18H20BrN5O2/c19-13-5-7-14(8-6-13)23-18(26)24-16(12-3-1-2-4-12)17(25)22-15-9-20-11-21-10-15/h5-12,16H,1-4H2,(H,22,25)(H2,23,24,26)
InChIKeyLTWLBHGFCQQSTM-UHFFFAOYSA-N
XLogP3.56
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.30
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-pyrimidin-5-ylacetamide 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 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-pyrimidin-5-ylacetamide?
The IUPAC name of 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-pyrimidin-5-ylacetamide (CID 162660629) is 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-pyrimidin-5-ylacetamide.
What is the SMILES notation for 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-pyrimidin-5-ylacetamide?
The canonical SMILES for 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-pyrimidin-5-ylacetamide is O=C(Nc1ccc(Br)cc1)NC(C(=O)Nc1cncnc1)C1CCCC1.
What is the InChIKey of 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-pyrimidin-5-ylacetamide?
The InChIKey is LTWLBHGFCQQSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN5O2/c19-13-5-7-14(8-6-13)23-18(26)24-16(12-3-1-2-4-12)17(25)22-15-9-20-11-21-10-15/h5-12,16H,1-4H2,(H,22,25)(H2,23,24,26).
What are the key properties of 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-pyrimidin-5-ylacetamide?
2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-pyrimidin-5-ylacetamide has a molecular weight of 418.30 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-pyrimidin-5-ylacetamide is sourced from PubChem (CID 162660629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).