2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxetan-3-yl)acetamide

C17H22BrN3O3 — CID 162656471

IUPAC2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxetan-3-yl)acetamide
SMILESO=C(Nc1ccc(Br)cc1)NC(C(=O)NC1COC1)C1CCCC1
InChIInChI=1S/C17H22BrN3O3/c18-12-5-7-13(8-6-12)20-17(23)21-15(11-3-1-2-4-11)16(22)19-14-9-24-10-14/h5-8,11,14-15H,1-4,9-10H2,(H,19,22)(H2,20,21,23)
InChIKeyNLXCZFNPDXVPLX-UHFFFAOYSA-N
MW396.29 g/mol
LogP2.64
Rot. Bonds5

About 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxetan-3-yl)acetamide

2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxetan-3-yl)acetamide (PubChem CID 162656471) has the molecular formula C17H22BrN3O3 and a molecular weight of 396.29 g/mol. Its IUPAC name is 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxetan-3-yl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxetan-3-yl)acetamide
PubChem CID162656471
Molecular FormulaC17H22BrN3O3
Molecular Weight396.29 g/mol
Exact Mass395.08
IUPAC Name2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxetan-3-yl)acetamide
SMILESO=C(Nc1ccc(Br)cc1)NC(C(=O)NC1COC1)C1CCCC1
InChIInChI=1S/C17H22BrN3O3/c18-12-5-7-13(8-6-12)20-17(23)21-15(11-3-1-2-4-11)16(22)19-14-9-24-10-14/h5-8,11,14-15H,1-4,9-10H2,(H,19,22)(H2,20,21,23)
InChIKeyNLXCZFNPDXVPLX-UHFFFAOYSA-N
XLogP2.64
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

((4-Bromophenyl)carbamoyl)-L-leucylglycine
CID 71526099
2-{[(2S)-2-{[(4-bromophenyl)carbamoyl] amino}-4-methylpentanoyl]amino}-2-methylpropanoic acid
CID 71525458
US10208071, Table 3.3
CID 2622535
1-(4-bromophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea
CID 11418989
1-[(4-bromophenyl)carbamoylamino]-N-[(2R)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]cyclopentane-1-carboxamide
CID 23625633
(S)-1-(4-Bromophenyl)-3-(1-oxo-3-phenyl-1-(pyrrolidin-1-yl)propan-2-yl)urea
CID 93095777
2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxan-4-yl)acetamide
CID 162657326
2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxolan-2-ylmethyl)acetamide
CID 162658091
N-(azetidin-3-yl)-2-[(4-bromophenyl)carbamoylamino]-2-cyclopentylacetamide
CID 162673364
(2S)-N-(2-amino-2-oxoethyl)-2-{[(4-bromo-2-fluorophenyl)carbamoyl]amino}-4-methylpentanamide
CID 71526007
(2S)-2-{[(4-bromo-2-fluorophenyl)carbamoyl]amino}-4-methyl-N-(2-oxopropyl)pentanamide
CID 71526009
(2S)-2-{[(4-bromophenyl)carbamoyl]amino}-4-methyl-N-(2-oxopropyl)pentanamide
CID 71526011

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxetan-3-yl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxetan-3-yl)acetamide (CID 162656471) is 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxetan-3-yl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxetan-3-yl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxetan-3-yl)acetamide is O=C(Nc1ccc(Br)cc1)NC(C(=O)NC1COC1)C1CCCC1.
What is the InChIKey of 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxetan-3-yl)acetamide?
The InChIKey is NLXCZFNPDXVPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O3/c18-12-5-7-13(8-6-12)20-17(23)21-15(11-3-1-2-4-11)16(22)19-14-9-24-10-14/h5-8,11,14-15H,1-4,9-10H2,(H,19,22)(H2,20,21,23).
What are the key properties of 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxetan-3-yl)acetamide?
2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxetan-3-yl)acetamide has a molecular weight of 396.29 g/mol, XLogP of 2.64, 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-(oxetan-3-yl)acetamide is sourced from PubChem (CID 162656471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).