2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxolan-2-ylmethyl)acetamide

C19H26BrN3O3 — CID 162658091

IUPAC2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Nc1ccc(Br)cc1)NC(C(=O)NCC1CCCO1)C1CCCC1
InChIInChI=1S/C19H26BrN3O3/c20-14-7-9-15(10-8-14)22-19(25)23-17(13-4-1-2-5-13)18(24)21-12-16-6-3-11-26-16/h7-10,13,16-17H,1-6,11-12H2,(H,21,24)(H2,22,23,25)
InChIKeyJDGUPLBUZUNGHY-UHFFFAOYSA-N
MW424.34 g/mol
LogP3.42
Rot. Bonds6

About 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxolan-2-ylmethyl)acetamide

2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 162658091) 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-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID162658091
Molecular FormulaC19H26BrN3O3
Molecular Weight424.34 g/mol
Exact Mass423.12
IUPAC Name2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Nc1ccc(Br)cc1)NC(C(=O)NCC1CCCO1)C1CCCC1
InChIInChI=1S/C19H26BrN3O3/c20-14-7-9-15(10-8-14)22-19(25)23-17(13-4-1-2-5-13)18(24)21-12-16-6-3-11-26-16/h7-10,13,16-17H,1-6,11-12H2,(H,21,24)(H2,22,23,25)
InChIKeyJDGUPLBUZUNGHY-UHFFFAOYSA-N
XLogP3.42
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxetan-3-yl)acetamide
CID 162656471
2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxan-4-yl)acetamide
CID 162657326
N-(azetidin-3-yl)-2-[(4-bromophenyl)carbamoylamino]-2-cyclopentylacetamide
CID 162673364
(1R,2R,3R,4S)-3-N-(4-bromophenyl)-2-N-(oxolan-2-ylmethyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495824
2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(1-methylpiperidin-4-yl)acetamide
CID 162644626
tert-butyl 2-[[(2S)-2-[(4-bromophenyl)carbamoylamino]-4-methylpentanoyl]amino]acetate
CID 71526101
tert-butyl (2S)-2-{[(2S)-2-{[(4-bromophenyl)carbamoyl]amino}-4-methylpentanoyl]amino} pentanoate
CID 71525826
propan-2-yl {[(2S)-2-{[(4-bromophenyl)carbamoyl]amino} pentanoyl]amino}acetate
CID 71526193
tert-butyl {[(2S)-2-{[(4-bromophenyl)carbamoyl]amino}-4-methylpentanoyl](methyl)amino} acetate
CID 90396508
1-[3-(3-Fluoro-phenyl)-ureido]-cyclohexanecarboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
CID 6487866
tert-butyl (2S)-2-[[2-[(4-bromophenyl)carbamoylamino]acetyl]amino]-4-methylpentanoate
CID 177647388
N'-(4-bromo-3-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 2927292

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxolan-2-ylmethyl)acetamide (CID 162658091) is 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxolan-2-ylmethyl)acetamide is O=C(Nc1ccc(Br)cc1)NC(C(=O)NCC1CCCO1)C1CCCC1.
What is the InChIKey of 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is JDGUPLBUZUNGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrN3O3/c20-14-7-9-15(10-8-14)22-19(25)23-17(13-4-1-2-5-13)18(24)21-12-16-6-3-11-26-16/h7-10,13,16-17H,1-6,11-12H2,(H,21,24)(H2,22,23,25).
What are the key properties of 2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxolan-2-ylmethyl)acetamide?
2-[(4-bromophenyl)carbamoylamino]-2-cyclopentyl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 424.34 g/mol, XLogP of 3.42, 6 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-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 162658091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).