N-(azetidin-3-yl)-2-[(4-bromophenyl)carbamoylamino]-2-cyclopentylacetamide

C17H23BrN4O2 — CID 162673364

IUPACN-(azetidin-3-yl)-2-[(4-bromophenyl)carbamoylamino]-2-cyclopentylacetamide
SMILESO=C(Nc1ccc(Br)cc1)NC(C(=O)NC1CNC1)C1CCCC1
InChIInChI=1S/C17H23BrN4O2/c18-12-5-7-13(8-6-12)21-17(24)22-15(11-3-1-2-4-11)16(23)20-14-9-19-10-14/h5-8,11,14-15,19H,1-4,9-10H2,(H,20,23)(H2,21,22,24)
InChIKeyUUVRPRUYHKMBCC-UHFFFAOYSA-N
MW395.30 g/mol
LogP2.22
Rot. Bonds5

About N-(azetidin-3-yl)-2-[(4-bromophenyl)carbamoylamino]-2-cyclopentylacetamide

N-(azetidin-3-yl)-2-[(4-bromophenyl)carbamoylamino]-2-cyclopentylacetamide (PubChem CID 162673364) has the molecular formula C17H23BrN4O2 and a molecular weight of 395.30 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-[(4-bromophenyl)carbamoylamino]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-[(4-bromophenyl)carbamoylamino]-2-cyclopentylacetamide
PubChem CID162673364
Molecular FormulaC17H23BrN4O2
Molecular Weight395.30 g/mol
Exact Mass394.10
IUPAC NameN-(azetidin-3-yl)-2-[(4-bromophenyl)carbamoylamino]-2-cyclopentylacetamide
SMILESO=C(Nc1ccc(Br)cc1)NC(C(=O)NC1CNC1)C1CCCC1
InChIInChI=1S/C17H23BrN4O2/c18-12-5-7-13(8-6-12)21-17(24)22-15(11-3-1-2-4-11)16(23)20-14-9-19-10-14/h5-8,11,14-15,19H,1-4,9-10H2,(H,20,23)(H2,21,22,24)
InChIKeyUUVRPRUYHKMBCC-UHFFFAOYSA-N
XLogP2.22
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.30
LogP ≤ 52.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

((4-Bromophenyl)carbamoyl)-L-leucylglycine
CID 71526099
(2S)-2-{[(4-bromophenyl)carbamoyl]amino}-N-[(3-hydroxy-1,2-oxazol-5-yl)methyl]-4-methylpentanamide
CID 71811752
2-{[(2S)-2-{[(4-bromophenyl)carbamoyl] amino}-4-methylpentanoyl]amino}-2-methylpropanoic acid
CID 71525458
US10208071, Table 3.3
CID 2622535
(2S)-2-{[(4-bromophenyl)carbamoyl]amino}-4-methyl-N-(2-oxopropyl)pentanamide
CID 71526011
(2S)-N-(2-amino-2-oxoethyl)-2-{[(4-bromophenyl)carbamoyl]amino}-4-methylpentanamide
CID 71526098
N-(4-bromophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2583729
1-(4-bromophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea
CID 11418989
N-(4-bromo-3-methylphenyl)-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16291749
N-[2-(2-bromoanilino)-2-oxoethyl]-3-cyclopentyl-N-methylpropanamide
CID 24818305
(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-(oxetan-3-yl)acetamide
CID 162656471

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-[(4-bromophenyl)carbamoylamino]-2-cyclopentylacetamide?
The IUPAC name of N-(azetidin-3-yl)-2-[(4-bromophenyl)carbamoylamino]-2-cyclopentylacetamide (CID 162673364) is N-(azetidin-3-yl)-2-[(4-bromophenyl)carbamoylamino]-2-cyclopentylacetamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-[(4-bromophenyl)carbamoylamino]-2-cyclopentylacetamide?
The canonical SMILES for N-(azetidin-3-yl)-2-[(4-bromophenyl)carbamoylamino]-2-cyclopentylacetamide is O=C(Nc1ccc(Br)cc1)NC(C(=O)NC1CNC1)C1CCCC1.
What is the InChIKey of N-(azetidin-3-yl)-2-[(4-bromophenyl)carbamoylamino]-2-cyclopentylacetamide?
The InChIKey is UUVRPRUYHKMBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN4O2/c18-12-5-7-13(8-6-12)21-17(24)22-15(11-3-1-2-4-11)16(23)20-14-9-19-10-14/h5-8,11,14-15,19H,1-4,9-10H2,(H,20,23)(H2,21,22,24).
What are the key properties of N-(azetidin-3-yl)-2-[(4-bromophenyl)carbamoylamino]-2-cyclopentylacetamide?
N-(azetidin-3-yl)-2-[(4-bromophenyl)carbamoylamino]-2-cyclopentylacetamide has a molecular weight of 395.30 g/mol, XLogP of 2.22, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-[(4-bromophenyl)carbamoylamino]-2-cyclopentylacetamide is sourced from PubChem (CID 162673364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).