2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxan-4-yl)acetamide

C19H26BrN3O3 — CID 162657326

IUPAC2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxan-4-yl)acetamide
SMILESO=C(Nc1ccc(Br)cc1)NC(C(=O)NC1CCOCC1)C1CCCC1
InChIInChI=1S/C19H26BrN3O3/c20-14-5-7-15(8-6-14)22-19(25)23-17(13-3-1-2-4-13)18(24)21-16-9-11-26-12-10-16/h5-8,13,16-17H,1-4,9-12H2,(H,21,24)(H2,22,23,25)
InChIKeyKNHAAAJNQIHUDY-UHFFFAOYSA-N
MW424.34 g/mol
LogP3.42
Rot. Bonds5

About 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxan-4-yl)acetamide

2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxan-4-yl)acetamide (PubChem CID 162657326) has the molecular formula C19H26BrN3O3 and a molecular weight of 424.34 g/mol. Its IUPAC name is 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxan-4-yl)acetamide
PubChem CID162657326
Molecular FormulaC19H26BrN3O3
Molecular Weight424.34 g/mol
Exact Mass423.12
IUPAC Name2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxan-4-yl)acetamide
SMILESO=C(Nc1ccc(Br)cc1)NC(C(=O)NC1CCOCC1)C1CCCC1
InChIInChI=1S/C19H26BrN3O3/c20-14-5-7-15(8-6-14)22-19(25)23-17(13-3-1-2-4-13)18(24)21-16-9-11-26-12-10-16/h5-8,13,16-17H,1-4,9-12H2,(H,21,24)(H2,22,23,25)
InChIKeyKNHAAAJNQIHUDY-UHFFFAOYSA-N
XLogP3.42
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.34
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxan-4-yl)acetamide (CID 162657326) is 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxan-4-yl)acetamide is O=C(Nc1ccc(Br)cc1)NC(C(=O)NC1CCOCC1)C1CCCC1.
What is the InChIKey of 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxan-4-yl)acetamide?
The InChIKey is KNHAAAJNQIHUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrN3O3/c20-14-5-7-15(8-6-14)22-19(25)23-17(13-3-1-2-4-13)18(24)21-16-9-11-26-12-10-16/h5-8,13,16-17H,1-4,9-12H2,(H,21,24)(H2,22,23,25).
What are the key properties of 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxan-4-yl)acetamide?
2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxan-4-yl)acetamide has a molecular weight of 424.34 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 162657326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).