1-[(1S,2R)-2-(2-bromophenyl)cyclopropyl]-3-[(2R)-4-hydroxy-2-methylbutyl]urea

C15H21BrN2O2 — CID 95934166

IUPAC1-[(1S,2R)-2-(2-bromophenyl)cyclopropyl]-3-[(2R)-4-hydroxy-2-methylbutyl]urea
SMILESC[C@H](CCO)CNC(=O)N[C@H]1C[C@@H]1c1ccccc1Br
InChIInChI=1S/C15H21BrN2O2/c1-10(6-7-19)9-17-15(20)18-14-8-12(14)11-4-2-3-5-13(11)16/h2-5,10,12,14,19H,6-9H2,1H3,(H2,17,18,20)/t10-,12-,14+/m1/s1
InChIKeyINQLDPPYTPUCQX-QKCSRTOESA-N
MW341.25 g/mol
LogP2.62
Rot. Bonds6

About 1-[(1S,2R)-2-(2-bromophenyl)cyclopropyl]-3-[(2R)-4-hydroxy-2-methylbutyl]urea

1-[(1S,2R)-2-(2-bromophenyl)cyclopropyl]-3-[(2R)-4-hydroxy-2-methylbutyl]urea (PubChem CID 95934166) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-[(1S,2R)-2-(2-bromophenyl)cyclopropyl]-3-[(2R)-4-hydroxy-2-methylbutyl]urea.

Molecular Properties

Compound Name1-[(1S,2R)-2-(2-bromophenyl)cyclopropyl]-3-[(2R)-4-hydroxy-2-methylbutyl]urea
PubChem CID95934166
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name1-[(1S,2R)-2-(2-bromophenyl)cyclopropyl]-3-[(2R)-4-hydroxy-2-methylbutyl]urea
SMILESC[C@H](CCO)CNC(=O)N[C@H]1C[C@@H]1c1ccccc1Br
InChIInChI=1S/C15H21BrN2O2/c1-10(6-7-19)9-17-15(20)18-14-8-12(14)11-4-2-3-5-13(11)16/h2-5,10,12,14,19H,6-9H2,1H3,(H2,17,18,20)/t10-,12-,14+/m1/s1
InChIKeyINQLDPPYTPUCQX-QKCSRTOESA-N
XLogP2.62
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111472557
N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-2-(4-methylphenyl)acetamide
CID 166359384
1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-hydroxy-4-methylpentyl)urea
CID 111104265
1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-hydroxy-3-methylpentyl)urea
CID 111338460
1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111505257
2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
CID 55105274
N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-4-methylbenzamide
CID 100649749
sodium 1-[2-[[(1R,2S)-2-(2-bromophenyl)cyclopropyl]amino]-2-oxoethyl]cyclopropane-1-carboxylate
CID 166264480
2-bromo-N-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide
CID 66108423
3-[2-(2-bromophenyl)cyclopropyl]-1-(2-hydroxyethyl)-1-(2-phenylethyl)urea
CID 86943826
1-(4-hydroxy-2-methylbutyl)-3-(1-phenylethyl)urea
CID 111503751
N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 66107336

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-(2-bromophenyl)cyclopropyl]-3-[(2R)-4-hydroxy-2-methylbutyl]urea?
The IUPAC name of 1-[(1S,2R)-2-(2-bromophenyl)cyclopropyl]-3-[(2R)-4-hydroxy-2-methylbutyl]urea (CID 95934166) is 1-[(1S,2R)-2-(2-bromophenyl)cyclopropyl]-3-[(2R)-4-hydroxy-2-methylbutyl]urea.
What is the SMILES notation for 1-[(1S,2R)-2-(2-bromophenyl)cyclopropyl]-3-[(2R)-4-hydroxy-2-methylbutyl]urea?
The canonical SMILES for 1-[(1S,2R)-2-(2-bromophenyl)cyclopropyl]-3-[(2R)-4-hydroxy-2-methylbutyl]urea is C[C@H](CCO)CNC(=O)N[C@H]1C[C@@H]1c1ccccc1Br.
What is the InChIKey of 1-[(1S,2R)-2-(2-bromophenyl)cyclopropyl]-3-[(2R)-4-hydroxy-2-methylbutyl]urea?
The InChIKey is INQLDPPYTPUCQX-QKCSRTOESA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10(6-7-19)9-17-15(20)18-14-8-12(14)11-4-2-3-5-13(11)16/h2-5,10,12,14,19H,6-9H2,1H3,(H2,17,18,20)/t10-,12-,14+/m1/s1.
What are the key properties of 1-[(1S,2R)-2-(2-bromophenyl)cyclopropyl]-3-[(2R)-4-hydroxy-2-methylbutyl]urea?
1-[(1S,2R)-2-(2-bromophenyl)cyclopropyl]-3-[(2R)-4-hydroxy-2-methylbutyl]urea has a molecular weight of 341.25 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-(2-bromophenyl)cyclopropyl]-3-[(2R)-4-hydroxy-2-methylbutyl]urea is sourced from PubChem (CID 95934166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).